5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C14H23FN4 — CID 80846627

IUPAC5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2(C)CCCC2)n1
InChIInChI=1S/C14H23FN4/c1-3-8-16-13-17-9-11(15)12(19-13)18-10-14(2)6-4-5-7-14/h9H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyZVMGJNRHZPMEFZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.43
Rot. Bonds6

About 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80846627) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80846627
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2(C)CCCC2)n1
InChIInChI=1S/C14H23FN4/c1-3-8-16-13-17-9-11(15)12(19-13)18-10-14(2)6-4-5-7-14/h9H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyZVMGJNRHZPMEFZ-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80846627) is 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCC2(C)CCCC2)n1.
What is the InChIKey of 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZVMGJNRHZPMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-8-16-13-17-9-11(15)12(19-13)18-10-14(2)6-4-5-7-14/h9H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80846627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).