4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

C15H23N7O — CID 126430763

IUPAC4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1cnnc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C15H23N7O/c1-3-5-22-10-17-20-14(22)8-21(2)13-7-12(18-15(16)19-13)11-4-6-23-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H2,16,18,19)/t11-/m1/s1
InChIKeyGXDDIMBUDZCOFC-LLVKDONJSA-N
MW317.40 g/mol
LogP1.20
Rot. Bonds6

About 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 126430763) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID126430763
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1cnnc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C15H23N7O/c1-3-5-22-10-17-20-14(22)8-21(2)13-7-12(18-15(16)19-13)11-4-6-23-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H2,16,18,19)/t11-/m1/s1
InChIKeyGXDDIMBUDZCOFC-LLVKDONJSA-N
XLogP1.20
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 53378714
4-N-methyl-6-(oxolan-3-yl)-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 119070495
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126453900
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125176371
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
CID 97138633
4-N-[(5-chloro-2-methoxyphenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452160
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 119063002
4-N-benzyl-4-N-[2-(dimethylamino)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126443450
4-N-butyl-6-[(3S)-oxolan-3-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 126424556

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 126430763) is 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is CCCn1cnnc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GXDDIMBUDZCOFC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N7O/c1-3-5-22-10-17-20-14(22)8-21(2)13-7-12(18-15(16)19-13)11-4-6-23-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H2,16,18,19)/t11-/m1/s1.
What are the key properties of 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 317.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126430763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).