2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine

C17H20FN5O — CID 174489062

IUPAC2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(NC2CC2)nc1Nc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C17H20FN5O/c18-14-9-20-17(22-13-5-6-13)23-16(14)21-12-3-1-11(2-4-12)15-10-19-7-8-24-15/h1-4,9,13,15,19H,5-8,10H2,(H2,20,21,22,23)
InChIKeyUVLVZNGASQCDEV-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.59
Rot. Bonds5

About 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine

2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 174489062) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID174489062
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(NC2CC2)nc1Nc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C17H20FN5O/c18-14-9-20-17(22-13-5-6-13)23-16(14)21-12-3-1-11(2-4-12)15-10-19-7-8-24-15/h1-4,9,13,15,19H,5-8,10H2,(H2,20,21,22,23)
InChIKeyUVLVZNGASQCDEV-UHFFFAOYSA-N
XLogP2.59
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine (CID 174489062) is 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine is Fc1cnc(NC2CC2)nc1Nc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UVLVZNGASQCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-14-9-20-17(22-13-5-6-13)23-16(14)21-12-3-1-11(2-4-12)15-10-19-7-8-24-15/h1-4,9,13,15,19H,5-8,10H2,(H2,20,21,22,23).
What are the key properties of 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 329.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174489062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).