N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide

C17H29N5O — CID 134305693

IUPACN-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C17H29N5O/c1-4-5-10-17(3,11-19-12(2)23)22-15-13-8-6-7-9-14(13)20-16(18)21-15/h4-11H2,1-3H3,(H,19,23)(H3,18,20,21,22)
InChIKeyHSPDPSXFQOHXTB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide

N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide (PubChem CID 134305693) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide
PubChem CID134305693
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2c1CCCC2
InChIInChI=1S/C17H29N5O/c1-4-5-10-17(3,11-19-12(2)23)22-15-13-8-6-7-9-14(13)20-16(18)21-15/h4-11H2,1-3H3,(H,19,23)(H3,18,20,21,22)
InChIKeyHSPDPSXFQOHXTB-UHFFFAOYSA-N
XLogP2.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-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-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
N-[2-[(2-aminopteridin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305672
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
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
[2-[(5-amino-[1,2]thiazolo[4,3-d]pyrimidin-7-yl)amino]-2-methylhexyl]urea
CID 163430886
2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010358
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
(2R)-2-[[2-amino-6-[(E)-2-fluoroprop-1-enyl]-5-(methylideneamino)pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146341412
3-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropanenitrile
CID 71696039

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide (CID 134305693) is N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide is CCCCC(C)(CNC(C)=O)Nc1nc(N)nc2c1CCCC2.
What is the InChIKey of N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The InChIKey is HSPDPSXFQOHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-5-10-17(3,11-19-12(2)23)22-15-13-8-6-7-9-14(13)20-16(18)21-15/h4-11H2,1-3H3,(H,19,23)(H3,18,20,21,22).
What are the key properties of N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 134305693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).