N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H17N5 — CID 66119358

IUPACN-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cncn2C)nc2c1CCCC2
InChIInChI=1S/C13H17N5/c1-14-12-9-5-3-4-6-10(9)16-13(17-12)11-7-15-8-18(11)2/h7-8H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyFIAGEHOQYRRPML-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.80
Rot. Bonds2

About N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 66119358) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID66119358
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cncn2C)nc2c1CCCC2
InChIInChI=1S/C13H17N5/c1-14-12-9-5-3-4-6-10(9)16-13(17-12)11-7-15-8-18(11)2/h7-8H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyFIAGEHOQYRRPML-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 66119358) is N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2cncn2C)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FIAGEHOQYRRPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-14-12-9-5-3-4-6-10(9)16-13(17-12)11-7-15-8-18(11)2/h7-8H,3-6H2,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylimidazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 66119358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).