N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C14H15ClN4O — CID 117100915

IUPACN-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(Nc2ccccc2Cl)nc2c1CCNC2
InChIInChI=1S/C14H15ClN4O/c1-20-13-9-6-7-16-8-12(9)18-14(19-13)17-11-5-3-2-4-10(11)15/h2-5,16H,6-8H2,1H3,(H,17,18,19)
InChIKeyRLXYAXNSFWJDLM-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.53
Rot. Bonds3

About N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 117100915) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID117100915
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC NameN-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(Nc2ccccc2Cl)nc2c1CCNC2
InChIInChI=1S/C14H15ClN4O/c1-20-13-9-6-7-16-8-12(9)18-14(19-13)17-11-5-3-2-4-10(11)15/h2-5,16H,6-8H2,1H3,(H,17,18,19)
InChIKeyRLXYAXNSFWJDLM-UHFFFAOYSA-N
XLogP2.53
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 117100915) is N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is COc1nc(Nc2ccccc2Cl)nc2c1CCNC2.
What is the InChIKey of N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is RLXYAXNSFWJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-20-13-9-6-7-16-8-12(9)18-14(19-13)17-11-5-3-2-4-10(11)15/h2-5,16H,6-8H2,1H3,(H,17,18,19).
What are the key properties of N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 290.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).