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

C9H13N3 — CID 4962065

IUPAC4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H13N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H2,1H3,(H2,10,11,12)
InChIKeySNRKDMNNDAVJSI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.25
Rot. Bonds

About 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 4962065) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID4962065
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(N)nc2c1CCCC2
InChIInChI=1S/C9H13N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H2,1H3,(H2,10,11,12)
InChIKeySNRKDMNNDAVJSI-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 4962065) is 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is Cc1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is SNRKDMNNDAVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H2,1H3,(H2,10,11,12).
What are the key properties of 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 4962065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).