5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine

C13H19N3 — CID 176552549

IUPAC5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine
SMILESCc1ncncc1N1CCC(C2CC2)CC1
InChIInChI=1S/C13H19N3/c1-10-13(8-14-9-15-10)16-6-4-12(5-7-16)11-2-3-11/h8-9,11-12H,2-7H2,1H3
InChIKeyNWITWPKPTSHEPR-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.41
Rot. Bonds2

About 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine

5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine (PubChem CID 176552549) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine
PubChem CID176552549
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine
SMILESCc1ncncc1N1CCC(C2CC2)CC1
InChIInChI=1S/C13H19N3/c1-10-13(8-14-9-15-10)16-6-4-12(5-7-16)11-2-3-11/h8-9,11-12H,2-7H2,1H3
InChIKeyNWITWPKPTSHEPR-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpyrimidin-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709168
4-methyl-5-(2-methylpiperazin-1-yl)pyrimidine
CID 82669790
5-bromo-3-(4-fluoropiperidin-1-yl)-2-methylpyridine
CID 158135526
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
4-methyl-5-(2-methyl-1,2,4-triazol-2-ium-1-yl)pyrimidine
CID 123960520
4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
CID 130543437
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
5-propyl-4-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine
CID 95724904
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
CID 106838520
1-(4-methoxypyrimidin-5-yl)piperidin-4-one
CID 119054418

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine (CID 176552549) is 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine is Cc1ncncc1N1CCC(C2CC2)CC1.
What is the InChIKey of 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine?
The InChIKey is NWITWPKPTSHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-13(8-14-9-15-10)16-6-4-12(5-7-16)11-2-3-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine?
5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine has a molecular weight of 217.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 176552549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).