4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C12H19FN4 — CID 80781382

IUPAC4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)C2CC2)n1
InChIInChI=1S/C12H19FN4/c1-3-6-14-12-15-7-10(13)11(17-12)16-8(2)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyPVACVLJLPGLRQL-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.65
Rot. Bonds6

About 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80781382) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80781382
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)C2CC2)n1
InChIInChI=1S/C12H19FN4/c1-3-6-14-12-15-7-10(13)11(17-12)16-8(2)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyPVACVLJLPGLRQL-UHFFFAOYSA-N
XLogP2.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783494
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80781382) is 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(C)C2CC2)n1.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PVACVLJLPGLRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-3-6-14-12-15-7-10(13)11(17-12)16-8(2)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80781382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).