N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide

C16H24N6O — CID 122599112

IUPACN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C16H24N6O/c1-4-5-8-16(3,10-19-11(2)23)22-14-13-12(7-6-9-18-13)20-15(17)21-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t16-/m1/s1
InChIKeyXIWCJHDZOIWLMD-MRXNPFEDSA-N
MW316.41 g/mol
LogP2.10
Rot. Bonds7

About N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide

N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide (PubChem CID 122599112) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
PubChem CID122599112
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C16H24N6O/c1-4-5-8-16(3,10-19-11(2)23)22-14-13-12(7-6-9-18-13)20-15(17)21-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t16-/m1/s1
InChIKeyXIWCJHDZOIWLMD-MRXNPFEDSA-N
XLogP2.10
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 169102407
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
4-[[(2R)-1-acetamido-2-methylhexan-2-yl]amino]-2-amino-N-phenylpyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010281
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
CID 122585199

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide (CID 122599112) is N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide is CCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cccnc12.
What is the InChIKey of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The InChIKey is XIWCJHDZOIWLMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-5-8-16(3,10-19-11(2)23)22-14-13-12(7-6-9-18-13)20-15(17)21-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)(H3,17,20,21,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 122599112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).