2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C10H13ClN4 — CID 117100826

IUPAC2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1nc(N2CCC2)nc2c1CCNC2
InChIInChI=1S/C10H13ClN4/c11-9-7-2-3-12-6-8(7)13-10(14-9)15-4-1-5-15/h12H,1-6H2
InChIKeyLHJKEYBFVWWUBA-UHFFFAOYSA-N
MW224.69 g/mol
LogP0.99
Rot. Bonds1

About 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 117100826) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID117100826
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1nc(N2CCC2)nc2c1CCNC2
InChIInChI=1S/C10H13ClN4/c11-9-7-2-3-12-6-8(7)13-10(14-9)15-4-1-5-15/h12H,1-6H2
InChIKeyLHJKEYBFVWWUBA-UHFFFAOYSA-N
XLogP0.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 117100644
2-(azepan-1-yl)-4-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 117100646
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
4-(azepan-1-yl)-2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101729
methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741856
2-(azetidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101214
4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100800
4-chloro-2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117101154
4-chloro-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525398
2-(azepan-1-yl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740020
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
2-(azepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101225

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 117100826) is 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Clc1nc(N2CCC2)nc2c1CCNC2.
What is the InChIKey of 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is LHJKEYBFVWWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-7-2-3-12-6-8(7)13-10(14-9)15-4-1-5-15/h12H,1-6H2.
What are the key properties of 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 117100826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).