N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide

C17H26N6O2 — CID 134319204

IUPACN-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cc(OC)cnc12
InChIInChI=1S/C17H26N6O2/c1-5-6-7-17(3,10-20-11(2)24)23-15-14-13(21-16(18)22-15)8-12(25-4)9-19-14/h8-9H,5-7,10H2,1-4H3,(H,20,24)(H3,18,21,22,23)/t17-/m1/s1
InChIKeyHMPKZWYFHFDNFV-QGZVFWFLSA-N
MW346.44 g/mol
LogP2.11
Rot. Bonds8

About N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide

N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide (PubChem CID 134319204) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
PubChem CID134319204
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cc(OC)cnc12
InChIInChI=1S/C17H26N6O2/c1-5-6-7-17(3,10-20-11(2)24)23-15-14-13(21-16(18)22-15)8-12(25-4)9-19-14/h8-9H,5-7,10H2,1-4H3,(H,20,24)(H3,18,21,22,23)/t17-/m1/s1
InChIKeyHMPKZWYFHFDNFV-QGZVFWFLSA-N
XLogP2.11
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide (CID 134319204) is N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide is CCCC[C@](C)(CNC(C)=O)Nc1nc(N)nc2cc(OC)cnc12.
What is the InChIKey of N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
The InChIKey is HMPKZWYFHFDNFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-6-7-17(3,10-20-11(2)24)23-15-14-13(21-16(18)22-15)8-12(25-4)9-19-14/h8-9H,5-7,10H2,1-4H3,(H,20,24)(H3,18,21,22,23)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide?
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 134319204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).