4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one

C18H28N6O — CID 136674840

IUPAC4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N(C)C2CCN(CCn3cccn3)CC2)n1
InChIInChI=1S/C18H28N6O/c1-14-13-17(25)21-18(20-14)15(2)22(3)16-5-9-23(10-6-16)11-12-24-8-4-7-19-24/h4,7-8,13,15-16H,5-6,9-12H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeyNQCLHXLSDPUMTR-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.43
Rot. Bonds6

About 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136674840) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID136674840
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N(C)C2CCN(CCn3cccn3)CC2)n1
InChIInChI=1S/C18H28N6O/c1-14-13-17(25)21-18(20-14)15(2)22(3)16-5-9-23(10-6-16)11-12-24-8-4-7-19-24/h4,7-8,13,15-16H,5-6,9-12H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeyNQCLHXLSDPUMTR-HNNXBMFYSA-N
XLogP1.43
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124617495
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
CID 122137908
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 97018897
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124568865
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
5-methyl-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940731
2-[(1R)-1-[2-(2-methoxyphenyl)ethyl-methylamino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136674831
2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137117551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one (CID 136674840) is 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H](C)N(C)C2CCN(CCn3cccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is NQCLHXLSDPUMTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14-13-17(25)21-18(20-14)15(2)22(3)16-5-9-23(10-6-16)11-12-24-8-4-7-19-24/h4,7-8,13,15-16H,5-6,9-12H2,1-3H3,(H,20,21,25)/t15-/m0/s1.
What are the key properties of 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1S)-1-[methyl-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136674840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).