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

C17H25N9 — CID 143752054

IUPAC6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC3)n2)C1
InChIInChI=1S/C17H25N9/c1-25-8-5-12(10-25)18-15-20-16(22-17(21-15)26-6-2-7-26)19-14-9-13(23-24-14)11-3-4-11/h9,11-12H,2-8,10H2,1H3,(H3,18,19,20,21,22,23,24)
InChIKeyRYASWEVCCDXWTI-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.54
Rot. Bonds6

About 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

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 (PubChem CID 143752054) has the molecular formula C17H25N9 and a molecular weight of 355.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID143752054
Molecular FormulaC17H25N9
Molecular Weight355.45 g/mol
Exact Mass355.22
IUPAC Name6-(azetidin-1-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC3)n2)C1
InChIInChI=1S/C17H25N9/c1-25-8-5-12(10-25)18-15-20-16(22-17(21-15)26-6-2-7-26)19-14-9-13(23-24-14)11-3-4-11/h9,11-12H,2-8,10H2,1H3,(H3,18,19,20,21,22,23,24)
InChIKeyRYASWEVCCDXWTI-UHFFFAOYSA-N
XLogP1.54
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 170298164
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80776311
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
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide
CID 143752064
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
acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(5-methyl-1,3-thiazol-2-yl)formamide
CID 143752067
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 66927380
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
1-[4-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 134816427
2-N-[5-(4-fluorocyclohexa-2,4-dien-1-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 70825023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(Nc2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCC3)n2)C1.
What is the InChIKey of 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?
The InChIKey is RYASWEVCCDXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N9/c1-25-8-5-12(10-25)18-15-20-16(22-17(21-15)26-6-2-7-26)19-14-9-13(23-24-14)11-3-4-11/h9,11-12H,2-8,10H2,1H3,(H3,18,19,20,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 355.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143752054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).