N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

C19H29N7O — CID 129339533

IUPACN-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC[C@@H](n3cncn3)C2)n1
InChIInChI=1S/C19H29N7O/c1-14(2)18-16(6-4-10-27-18)23-17-7-8-21-19(24-17)25-9-3-5-15(11-25)26-13-20-12-22-26/h7-8,12-16,18H,3-6,9-11H2,1-2H3,(H,21,23,24)/t15-,16-,18+/m1/s1
InChIKeyOTVVCXPBDGGDQP-NUJGCVRESA-N
MW371.49 g/mol
LogP2.53
Rot. Bonds5

About N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 129339533) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID129339533
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC NameN-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC[C@@H](n3cncn3)C2)n1
InChIInChI=1S/C19H29N7O/c1-14(2)18-16(6-4-10-27-18)23-17-7-8-21-19(24-17)25-9-3-5-15(11-25)26-13-20-12-22-26/h7-8,12-16,18H,3-6,9-11H2,1-2H3,(H,21,23,24)/t15-,16-,18+/m1/s1
InChIKeyOTVVCXPBDGGDQP-NUJGCVRESA-N
XLogP2.53
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048455
(2R)-4-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]morpholine-2-carbonitrile
CID 129342483
1-[1-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 129340128
(3R)-N-ethyl-1-[4-[[(2R,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]pyrrolidine-3-sulfonamide
CID 129336698
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129343408
2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 129342942
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496
2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
CID 122047251
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129341346
2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine
CID 154794243
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine (CID 129339533) is N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine is CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC[C@@H](n3cncn3)C2)n1.
What is the InChIKey of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is OTVVCXPBDGGDQP-NUJGCVRESA-N. The full InChI is InChI=1S/C19H29N7O/c1-14(2)18-16(6-4-10-27-18)23-17-7-8-21-19(24-17)25-9-3-5-15(11-25)26-13-20-12-22-26/h7-8,12-16,18H,3-6,9-11H2,1-2H3,(H,21,23,24)/t15-,16-,18+/m1/s1.
What are the key properties of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine?
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 129339533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).