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

C18H20ClFN4 — CID 86668120

IUPAC2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC=CCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN4/c1-4-9-24(3)17-15-11-23(2)10-14(16(15)21-18(19)22-17)12-5-7-13(20)8-6-12/h4-8,14H,1,9-11H2,2-3H3
InChIKeyKAPCIXQNVQHZLW-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.47
Rot. Bonds4

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

2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 86668120) has the molecular formula C18H20ClFN4 and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID86668120
Molecular FormulaC18H20ClFN4
Molecular Weight346.84 g/mol
Exact Mass346.14
IUPAC Name2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC=CCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN4/c1-4-9-24(3)17-15-11-23(2)10-14(16(15)21-18(19)22-17)12-5-7-13(20)8-6-12/h4-8,14H,1,9-11H2,2-3H3
InChIKeyKAPCIXQNVQHZLW-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 86668120) is 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-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-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is C=CCN(C)c1nc(Cl)nc2c1CN(C)CC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KAPCIXQNVQHZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4/c1-4-9-24(3)17-15-11-23(2)10-14(16(15)21-18(19)22-17)12-5-7-13(20)8-6-12/h4-8,14H,1,9-11H2,2-3H3.
What are the key properties of 2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
2-chloro-8-(4-fluorophenyl)-N,6-dimethyl-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 346.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 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-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86668120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).