5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine

C14H24FN5 — CID 80766794

IUPAC5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24FN5/c1-4-7-16-14-17-10-12(15)13(18-14)20(3)11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyYHNHXFKTILPAGD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.97
Rot. Bonds5

About 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80766794) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80766794
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24FN5/c1-4-7-16-14-17-10-12(15)13(18-14)20(3)11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyYHNHXFKTILPAGD-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838986
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
CID 80783482
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800040
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
2-N-ethyl-4-N,5-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80766637
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
5-bromo-4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80788308
5-chloro-4-N-methyl-4-N-(1-methylpiperidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80832102
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80766794) is 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C2CCN(C)CC2)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YHNHXFKTILPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-4-7-16-14-17-10-12(15)13(18-14)20(3)11-5-8-19(2)9-6-11/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80766794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).