2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine

C15H13ClN4O — CID 142477796

IUPAC2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NC2CCCc3occc32)c2ncccc2n1
InChIInChI=1S/C15H13ClN4O/c16-15-19-11-4-2-7-17-13(11)14(20-15)18-10-3-1-5-12-9(10)6-8-21-12/h2,4,6-8,10H,1,3,5H2,(H,18,19,20)
InChIKeyZMXASIUTBCKBEL-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine

2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 142477796) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID142477796
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1nc(NC2CCCc3occc32)c2ncccc2n1
InChIInChI=1S/C15H13ClN4O/c16-15-19-11-4-2-7-17-13(11)14(20-15)18-10-3-1-5-12-9(10)6-8-21-12/h2,4,6-8,10H,1,3,5H2,(H,18,19,20)
InChIKeyZMXASIUTBCKBEL-UHFFFAOYSA-N
XLogP3.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 142477796) is 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine is Clc1nc(NC2CCCc3occc32)c2ncccc2n1.
What is the InChIKey of 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZMXASIUTBCKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-15-19-11-4-2-7-17-13(11)14(20-15)18-10-3-1-5-12-9(10)6-8-21-12/h2,4,6-8,10H,1,3,5H2,(H,18,19,20).
What are the key properties of 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine?
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 300.75 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142477796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).