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

C17H26N6 — CID 99945992

IUPACN,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCCC[C@@H]2CCn2cccn2)cn1
InChIInChI=1S/C17H26N6/c1-21(2)17-18-12-15(13-19-17)14-22-9-4-3-6-16(22)7-11-23-10-5-8-20-23/h5,8,10,12-13,16H,3-4,6-7,9,11,14H2,1-2H3/t16-/m1/s1
InChIKeyXPXYMTVWXPFVBI-MRXNPFEDSA-N
MW314.44 g/mol
LogP2.18
Rot. Bonds6

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

N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 99945992) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID99945992
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCCC[C@@H]2CCn2cccn2)cn1
InChIInChI=1S/C17H26N6/c1-21(2)17-18-12-15(13-19-17)14-22-9-4-3-6-16(22)7-11-23-10-5-8-20-23/h5,8,10,12-13,16H,3-4,6-7,9,11,14H2,1-2H3/t16-/m1/s1
InChIKeyXPXYMTVWXPFVBI-MRXNPFEDSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N,N-dimethyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 77092558
N-[2-[(2R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632162
5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 99946857
(2S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(2-pyrazol-1-ylethyl)piperidine
CID 99948001
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125445921
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 45192200

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 99945992) is N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is CN(C)c1ncc(CN2CCCC[C@@H]2CCn2cccn2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is XPXYMTVWXPFVBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N6/c1-21(2)17-18-12-15(13-19-17)14-22-9-4-3-6-16(22)7-11-23-10-5-8-20-23/h5,8,10,12-13,16H,3-4,6-7,9,11,14H2,1-2H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 314.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99945992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).