4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline

C12H11ClN4 — CID 61382244

IUPAC4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESClc1nc(-c2ncccn2)nc2c1CCCC2
InChIInChI=1S/C12H11ClN4/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h3,6-7H,1-2,4-5H2
InChIKeyDZMOYLLBEVHQSL-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.47
Rot. Bonds1

About 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline

4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 61382244) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID61382244
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESClc1nc(-c2ncccn2)nc2c1CCCC2
InChIInChI=1S/C12H11ClN4/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h3,6-7H,1-2,4-5H2
InChIKeyDZMOYLLBEVHQSL-UHFFFAOYSA-N
XLogP2.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline (CID 61382244) is 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline is Clc1nc(-c2ncccn2)nc2c1CCCC2.
What is the InChIKey of 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is DZMOYLLBEVHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c13-10-8-4-1-2-5-9(8)16-12(17-10)11-14-6-3-7-15-11/h3,6-7H,1-2,4-5H2.
What are the key properties of 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 246.70 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 61382244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).