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

C17H25N5O — CID 134305634

IUPACN-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C17H25N5O/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/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H3,18,20,21,22)
InChIKeyLCXZDMYAFKGELL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds7

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

N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide (PubChem CID 134305634) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
PubChem CID134305634
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
SMILESCCCCC(C)(CNC(C)=O)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C17H25N5O/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/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H3,18,20,21,22)
InChIKeyLCXZDMYAFKGELL-UHFFFAOYSA-N
XLogP2.71
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The IUPAC name of N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide (CID 134305634) is N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide.
What is the SMILES notation for N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The canonical SMILES for N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide is CCCCC(C)(CNC(C)=O)Nc1nc(N)nc2ccccc12.
What is the InChIKey of N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
The InChIKey is LCXZDMYAFKGELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/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/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H3,18,20,21,22).
What are the key properties of N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide?
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide is sourced from PubChem (CID 134305634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).