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

C9H12ClN3 — CID 12602868

IUPAC2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C9H12ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13)
InChIKeyDLKOHRQBDQDKFY-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.05
Rot. Bonds1

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

2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 12602868) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID12602868
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c1CCCC2
InChIInChI=1S/C9H12ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13)
InChIKeyDLKOHRQBDQDKFY-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 12602868) is 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(Cl)nc2c1CCCC2.
What is the InChIKey of 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is DLKOHRQBDQDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 12602868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).