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

C17H15FN4O — CID 59199205

IUPAC4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OCC2CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C17H15FN4O/c18-12-5-3-11(4-6-12)13-7-8-14-15(20-13)16(22-17(19)21-14)23-9-10-1-2-10/h3-8,10H,1-2,9H2,(H2,19,21,22)
InChIKeyDYUCMVYNMRHTFZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.20
Rot. Bonds4

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

4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 59199205) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID59199205
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(OCC2CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C17H15FN4O/c18-12-5-3-11(4-6-12)13-7-8-14-15(20-13)16(22-17(19)21-14)23-9-10-1-2-10/h3-8,10H,1-2,9H2,(H2,19,21,22)
InChIKeyDYUCMVYNMRHTFZ-UHFFFAOYSA-N
XLogP3.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 59199205) is 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is Nc1nc(OCC2CC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is DYUCMVYNMRHTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-12-5-3-11(4-6-12)13-7-8-14-15(20-13)16(22-17(19)21-14)23-9-10-1-2-10/h3-8,10H,1-2,9H2,(H2,19,21,22).
What are the key properties of 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine?
4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 59199205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).