N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide

C15H23N7O — CID 134305672

IUPACN-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2nccnc12
InChIInChI=1S/C15H23N7O/c1-4-5-6-15(3,9-19-10(2)23)22-13-11-12(18-8-7-17-11)20-14(16)21-13/h7-8H,4-6,9H2,1-3H3,(H,19,23)(H3,16,18,20,21,22)
InChIKeyZCOMAVAZOVGSLD-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.50
Rot. Bonds7

About N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide

N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide (PubChem CID 134305672) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
PubChem CID134305672
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2nccnc12
InChIInChI=1S/C15H23N7O/c1-4-5-6-15(3,9-19-10(2)23)22-13-11-12(18-8-7-17-11)20-14(16)21-13/h7-8H,4-6,9H2,1-3H3,(H,19,23)(H3,16,18,20,21,22)
InChIKeyZCOMAVAZOVGSLD-UHFFFAOYSA-N
XLogP1.50
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305693
4-[[(2R)-1-acetamido-2-methylhexan-2-yl]amino]-2-amino-N-phenylpyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010281
[2-[(5-amino-[1,2]thiazolo[4,3-d]pyrimidin-7-yl)amino]-2-methylhexyl]urea
CID 163430886
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
(2S)-N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]piperidine-2-carboxamide
CID 162475052

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide (CID 134305672) is N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide is CCCCC(C)(CNC(C)=O)Nc1nc(N)nc2nccnc12.
What is the InChIKey of N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide?
The InChIKey is ZCOMAVAZOVGSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-4-5-6-15(3,9-19-10(2)23)22-13-11-12(18-8-7-17-11)20-14(16)21-13/h7-8H,4-6,9H2,1-3H3,(H,19,23)(H3,16,18,20,21,22).
What are the key properties of N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide?
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide has a molecular weight of 317.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 134305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).