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

C15H19N5 — CID 66163528

IUPAC2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cncn2C2CC2)nc2c1CCCC2
InChIInChI=1S/C15H19N5/c1-16-14-11-4-2-3-5-12(11)18-15(19-14)13-8-17-9-20(13)10-6-7-10/h8-10H,2-7H2,1H3,(H,16,18,19)
InChIKeyPTWVYKKYQHFDSD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.60
Rot. Bonds3

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

2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 66163528) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID66163528
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cncn2C2CC2)nc2c1CCCC2
InChIInChI=1S/C15H19N5/c1-16-14-11-4-2-3-5-12(11)18-15(19-14)13-8-17-9-20(13)10-6-7-10/h8-10H,2-7H2,1H3,(H,16,18,19)
InChIKeyPTWVYKKYQHFDSD-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 66163528) is 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2cncn2C2CC2)nc2c1CCCC2.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PTWVYKKYQHFDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-16-14-11-4-2-3-5-12(11)18-15(19-14)13-8-17-9-20(13)10-6-7-10/h8-10H,2-7H2,1H3,(H,16,18,19).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 66163528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).