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

C17H20ClFN4 — CID 58075516

IUPAC2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C17H20ClFN4/c1-4-23(3)16-14-10-22(2)9-13(15(14)20-17(18)21-16)11-5-7-12(19)8-6-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyGXLNGNNRZKUXNT-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.30
Rot. Bonds3

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

2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 58075516) has the molecular formula C17H20ClFN4 and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID58075516
Molecular FormulaC17H20ClFN4
Molecular Weight334.83 g/mol
Exact Mass334.14
IUPAC Name2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C17H20ClFN4/c1-4-23(3)16-14-10-22(2)9-13(15(14)20-17(18)21-16)11-5-7-12(19)8-6-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyGXLNGNNRZKUXNT-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 58075516) is 2-chloro-N-ethyl-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-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is GXLNGNNRZKUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4/c1-4-23(3)16-14-10-22(2)9-13(15(14)20-17(18)21-16)11-5-7-12(19)8-6-11/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 334.83 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-8-(4-fluorophenyl)-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).