5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine

C16H23FN6 — CID 135090857

IUPAC5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(CCn3cccn3)CC2)ncc1F
InChIInChI=1S/C16H23FN6/c1-21(2)15-14(17)12-18-16(20-15)22-9-4-13(5-10-22)6-11-23-8-3-7-19-23/h3,7-8,12-13H,4-6,9-11H2,1-2H3
InChIKeyROVHUSRCMIPRQC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.18
Rot. Bonds5

About 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 135090857) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID135090857
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC(CCn3cccn3)CC2)ncc1F
InChIInChI=1S/C16H23FN6/c1-21(2)15-14(17)12-18-16(20-15)22-9-4-13(5-10-22)6-11-23-8-3-7-19-23/h3,7-8,12-13H,4-6,9-11H2,1-2H3
InChIKeyROVHUSRCMIPRQC-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 72913700
2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72919850
1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72933941
2-[2-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878268
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56754929
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91785943
6-[(5-tert-butyl-2-methylphenyl)methyl]-7-methyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]purine
CID 58464299
5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 97195093
N,N-dimethyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 77092558
N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99945992

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine (CID 135090857) is 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine is CN(C)c1nc(N2CCC(CCn3cccn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ROVHUSRCMIPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6/c1-21(2)15-14(17)12-18-16(20-15)22-9-4-13(5-10-22)6-11-23-8-3-7-19-23/h3,7-8,12-13H,4-6,9-11H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 318.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 135090857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).