2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C15H16ClFN4 — CID 58075502

IUPAC2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4/c1-18-14-12-8-21(2)7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyHYMRCBHZMLCZCH-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.89
Rot. Bonds2

About 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 58075502) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID58075502
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C15H16ClFN4/c1-18-14-12-8-21(2)7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyHYMRCBHZMLCZCH-UHFFFAOYSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 58075502) is 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is HYMRCBHZMLCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-18-14-12-8-21(2)7-11(13(12)19-15(16)20-14)9-3-5-10(17)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 306.77 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).