2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

C9H13N3 — CID 54593134

IUPAC2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCCC2N
InChIInChI=1S/C9H13N3/c1-6-11-5-7-8(10)3-2-4-9(7)12-6/h5,8H,2-4,10H2,1H3
InChIKeyPMXMWNSGCDPEFP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 54593134) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID54593134
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCc1ncc2c(n1)CCCC2N
InChIInChI=1S/C9H13N3/c1-6-11-5-7-8(10)3-2-4-9(7)12-6/h5,8H,2-4,10H2,1H3
InChIKeyPMXMWNSGCDPEFP-UHFFFAOYSA-N
XLogP1.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 54593134) is 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is Cc1ncc2c(n1)CCCC2N.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is PMXMWNSGCDPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-11-5-7-8(10)3-2-4-9(7)12-6/h5,8H,2-4,10H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 163.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 54593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).