6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine

C17H17FN4 — CID 24963875

IUPAC6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCC(C)Cc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H17FN4/c1-10(2)9-15-16-14(21-17(19)22-15)8-7-13(20-16)11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H2,19,21,22)
InChIKeyCZLNHKIBDPXZRL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.61
Rot. Bonds3

About 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine

6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24963875) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24963875
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCC(C)Cc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H17FN4/c1-10(2)9-15-16-14(21-17(19)22-15)8-7-13(20-16)11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H2,19,21,22)
InChIKeyCZLNHKIBDPXZRL-UHFFFAOYSA-N
XLogP3.61
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine (CID 24963875) is 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine is CC(C)Cc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is CZLNHKIBDPXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-10(2)9-15-16-14(21-17(19)22-15)8-7-13(20-16)11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H2,19,21,22).
What are the key properties of 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine?
6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 296.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).