N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine

C20H30N8O — CID 143752088

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESC[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C1
InChIInChI=1S/C20H30N8O/c1-12-6-7-27(9-12)19-22-18(21-17-8-16(25-26-17)15-4-5-15)23-20(24-19)28-10-13(2)29-14(3)11-28/h8,12-15H,4-7,9-11H2,1-3H3,(H2,21,22,23,24,25,26)/t12-,13-,14+/m1/s1
InChIKeyKSUHCYJDXCBLHH-MCIONIFRSA-N
MW398.52 g/mol
LogP2.68
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 143752088) has the molecular formula C20H30N8O and a molecular weight of 398.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID143752088
Molecular FormulaC20H30N8O
Molecular Weight398.52 g/mol
Exact Mass398.25
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESC[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C1
InChIInChI=1S/C20H30N8O/c1-12-6-7-27(9-12)19-22-18(21-17-8-16(25-26-17)15-4-5-15)23-20(24-19)28-10-13(2)29-14(3)11-28/h8,12-15H,4-7,9-11H2,1-3H3,(H2,21,22,23,24,25,26)/t12-,13-,14+/m1/s1
InChIKeyKSUHCYJDXCBLHH-MCIONIFRSA-N
XLogP2.68
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 143752054
methyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
CID 59436321
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(3-methyl-1,2-thiazol-5-yl)formamide
CID 143606496
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene
CID 143606397
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
CID 143752175
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-fluoropiperidin-1-yl)-1,3,5-triazin-2-yl]-4-methoxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436329
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 143752088) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine is C[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is KSUHCYJDXCBLHH-MCIONIFRSA-N. The full InChI is InChI=1S/C20H30N8O/c1-12-6-7-27(9-12)19-22-18(21-17-8-16(25-26-17)15-4-5-15)23-20(24-19)28-10-13(2)29-14(3)11-28/h8,12-15H,4-7,9-11H2,1-3H3,(H2,21,22,23,24,25,26)/t12-,13-,14+/m1/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 398.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 143752088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).