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

C16H18ClFN4 — CID 58075418

IUPAC2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN4/c1-3-19-15-13-9-22(2)8-12(14(13)20-16(17)21-15)10-4-6-11(18)7-5-10/h4-7,12H,3,8-9H2,1-2H3,(H,19,20,21)
InChIKeySUWDIPKXJZRPNO-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.28
Rot. Bonds3

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

2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 58075418) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID58075418
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC Name2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN4/c1-3-19-15-13-9-22(2)8-12(14(13)20-16(17)21-15)10-4-6-11(18)7-5-10/h4-7,12H,3,8-9H2,1-2H3,(H,19,20,21)
InChIKeySUWDIPKXJZRPNO-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 58075418) is 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCNc1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is SUWDIPKXJZRPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c1-3-19-15-13-9-22(2)8-12(14(13)20-16(17)21-15)10-4-6-11(18)7-5-10/h4-7,12H,3,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 320.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-8-(4-fluorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).