2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine

C17H23N5O — CID 70777559

IUPAC2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCCC(c3nccn3CC3CC3)C2)nc1
InChIInChI=1S/C17H23N5O/c1-23-15-9-19-17(20-10-15)22-7-2-3-14(12-22)16-18-6-8-21(16)11-13-4-5-13/h6,8-10,13-14H,2-5,7,11-12H2,1H3
InChIKeyLORYPLRYVFLTDU-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.48
Rot. Bonds5

About 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine

2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine (PubChem CID 70777559) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
PubChem CID70777559
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCCC(c3nccn3CC3CC3)C2)nc1
InChIInChI=1S/C17H23N5O/c1-23-15-9-19-17(20-10-15)22-7-2-3-14(12-22)16-18-6-8-21(16)11-13-4-5-13/h6,8-10,13-14H,2-5,7,11-12H2,1H3
InChIKeyLORYPLRYVFLTDU-UHFFFAOYSA-N
XLogP2.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
CID 70738565
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70711406
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70734824
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
CID 97188278
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 96572737
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine (CID 70777559) is 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine is COc1cnc(N2CCCC(c3nccn3CC3CC3)C2)nc1.
What is the InChIKey of 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine?
The InChIKey is LORYPLRYVFLTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-15-9-19-17(20-10-15)22-7-2-3-14(12-22)16-18-6-8-21(16)11-13-4-5-13/h6,8-10,13-14H,2-5,7,11-12H2,1H3.
What are the key properties of 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine?
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine has a molecular weight of 313.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine is sourced from PubChem (CID 70777559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).