5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine

C15H26FN5 — CID 171359425

IUPAC5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC[C@H]2CCCCN2C(C)C)ncc1F
InChIInChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyLIJSHBQGRRHROR-GFCCVEGCSA-N
MW295.41 g/mol
LogP2.72
Rot. Bonds6

About 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 171359425) has the molecular formula C15H26FN5 and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID171359425
Molecular FormulaC15H26FN5
Molecular Weight295.41 g/mol
Exact Mass295.22
IUPAC Name5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC[C@H]2CCCCN2C(C)C)ncc1F
InChIInChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyLIJSHBQGRRHROR-GFCCVEGCSA-N
XLogP2.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
4-N-(3-aminopentyl)pyrimidine-2,4-diamine
CID 49856818
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012
4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 49857015
N4-cyclohexyl-N4,N6-dimethylpyrimidine-4,6-diamine
CID 80761773
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine (CID 171359425) is 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine is CNc1nc(NCC[C@H]2CCCCN2C(C)C)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is LIJSHBQGRRHROR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26FN5/c1-11(2)21-9-5-4-6-12(21)7-8-18-15-19-10-13(16)14(17-3)20-15/h10-12H,4-9H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1.
What are the key properties of 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 295.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).