4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C13H18N6O — CID 19145512

IUPAC4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C13H18N6O/c1-9(7-20-2)18-12-11(14)13(17-8-16-12)19-10-4-3-5-15-6-10/h3-6,8-9H,7,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyNQAHAEDWZKDDLX-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.64
Rot. Bonds6

About 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 19145512) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID19145512
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCOCC(C)Nc1ncnc(Nc2cccnc2)c1N
InChIInChI=1S/C13H18N6O/c1-9(7-20-2)18-12-11(14)13(17-8-16-12)19-10-4-3-5-15-6-10/h3-6,8-9H,7,14H2,1-2H3,(H2,16,17,18,19)
InChIKeyNQAHAEDWZKDDLX-UHFFFAOYSA-N
XLogP1.64
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22540147
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526
4-N-(5-methyl-2-pyridinyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145493
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 19145512) is 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is COCC(C)Nc1ncnc(Nc2cccnc2)c1N.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is NQAHAEDWZKDDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(7-20-2)18-12-11(14)13(17-8-16-12)19-10-4-3-5-15-6-10/h3-6,8-9H,7,14H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 274.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).