2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine

C18H25N5 — CID 97283132

IUPAC2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H](c3nccn3CC3CCC3)C2)n1
InChIInChI=1S/C18H25N5/c1-14-7-8-20-18(21-14)23-10-3-6-16(13-23)17-19-9-11-22(17)12-15-4-2-5-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3/t16-/m0/s1
InChIKeyYMCIAGUKSBFMON-INIZCTEOSA-N
MW311.43 g/mol
LogP3.17
Rot. Bonds4

About 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine

2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine (PubChem CID 97283132) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine
PubChem CID97283132
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H](c3nccn3CC3CCC3)C2)n1
InChIInChI=1S/C18H25N5/c1-14-7-8-20-18(21-14)23-10-3-6-16(13-23)17-19-9-11-22(17)12-15-4-2-5-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3/t16-/m0/s1
InChIKeyYMCIAGUKSBFMON-INIZCTEOSA-N
XLogP3.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
N~2~,N~2~,N~4~,5,6-pentamethyl-N~4~-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50955144
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
4-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyrimidin-2-amine
CID 56711018
2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N,N-dimethylpyrimidin-4-amine
CID 56749000
2-(2-Methylpropyl)-6-(3-methylpyrazin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56759687
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine (CID 97283132) is 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCC[C@H](c3nccn3CC3CCC3)C2)n1.
What is the InChIKey of 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine?
The InChIKey is YMCIAGUKSBFMON-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-7-8-20-18(21-14)23-10-3-6-16(13-23)17-19-9-11-22(17)12-15-4-2-5-15/h7-9,11,15-16H,2-6,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine?
2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine has a molecular weight of 311.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 97283132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).