2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine

C15H11ClF2N4O — CID 164609055

IUPAC2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1c(F)cc(N(C)c2nc(Cl)nc3cccnc23)cc1F
InChIInChI=1S/C15H11ClF2N4O/c1-22(8-6-9(17)13(23-2)10(18)7-8)14-12-11(4-3-5-19-12)20-15(16)21-14/h3-7H,1-2H3
InChIKeyBBLVETLHBKNGCR-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine

2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 164609055) has the molecular formula C15H11ClF2N4O and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID164609055
Molecular FormulaC15H11ClF2N4O
Molecular Weight336.73 g/mol
Exact Mass336.06
IUPAC Name2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1c(F)cc(N(C)c2nc(Cl)nc3cccnc23)cc1F
InChIInChI=1S/C15H11ClF2N4O/c1-22(8-6-9(17)13(23-2)10(18)7-8)14-12-11(4-3-5-19-12)20-15(16)21-14/h3-7H,1-2H3
InChIKeyBBLVETLHBKNGCR-UHFFFAOYSA-N
XLogP3.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 198995
CID 198995
CID 5328062
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CID 11647397
CID 11647397
CID 58279815
CID 58279815
CID 15266433
CID 15266433
CID 134611709
CID 134611709
CID 139592925
CID 139592925
CID 164611321
CID 164611321
CID 2764806
CID 2764806
CID 457776
CID 457776
CID 9967928
CID 9967928
CID 11529244
CID 11529244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine (CID 164609055) is 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine is COc1c(F)cc(N(C)c2nc(Cl)nc3cccnc23)cc1F.
What is the InChIKey of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BBLVETLHBKNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O/c1-22(8-6-9(17)13(23-2)10(18)7-8)14-12-11(4-3-5-19-12)20-15(16)21-14/h3-7H,1-2H3.
What are the key properties of 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine?
2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 336.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 164609055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).