2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one

C13H19N5O — CID 170186453

IUPAC2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCC[C@@H](CC)Nc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C13H19N5O/c1-3-5-8(4-2)16-11-10-9(17-13(14)18-11)6-7-15-12(10)19/h6-8H,3-5H2,1-2H3,(H,15,19)(H3,14,16,17,18)/t8-/m1/s1
InChIKeyGVRHAGHLZLEGGJ-MRVPVSSYSA-N
MW261.33 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 170186453) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID170186453
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCC[C@@H](CC)Nc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C13H19N5O/c1-3-5-8(4-2)16-11-10-9(17-13(14)18-11)6-7-15-12(10)19/h6-8H,3-5H2,1-2H3,(H,15,19)(H3,14,16,17,18)/t8-/m1/s1
InChIKeyGVRHAGHLZLEGGJ-MRVPVSSYSA-N
XLogP1.89
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186114
2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170185964
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186267
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
2-[bis[(4-methoxyphenyl)methyl]amino]-4-(1-hydroxyhexan-3-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 168916884
4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
CID 80818217
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 170186588
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
2-amino-4-(1-hydroxypentan-2-ylamino)-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrido[4,3-d]pyrimidin-5-one
CID 170186389

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 170186453) is 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one is CCC[C@@H](CC)Nc1nc(N)nc2cc[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is GVRHAGHLZLEGGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-5-8(4-2)16-11-10-9(17-13(14)18-11)6-7-15-12(10)19/h6-8H,3-5H2,1-2H3,(H,15,19)(H3,14,16,17,18)/t8-/m1/s1.
What are the key properties of 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 261.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170186453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).