4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine

C14H23N3 — CID 95821351

IUPAC4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
SMILESCc1ccnc(C2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H23N3/c1-11(2)10-17-8-5-13(6-9-17)14-15-7-4-12(3)16-14/h4,7,11,13H,5-6,8-10H2,1-3H3
InChIKeyJEYKERPWRZFLRD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine

4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine (PubChem CID 95821351) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
PubChem CID95821351
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
SMILESCc1ccnc(C2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H23N3/c1-11(2)10-17-8-5-13(6-9-17)14-15-7-4-12(3)16-14/h4,7,11,13H,5-6,8-10H2,1-3H3
InChIKeyJEYKERPWRZFLRD-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine (CID 95821351) is 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine is Cc1ccnc(C2CCN(CC(C)C)CC2)n1.
What is the InChIKey of 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine?
The InChIKey is JEYKERPWRZFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)10-17-8-5-13(6-9-17)14-15-7-4-12(3)16-14/h4,7,11,13H,5-6,8-10H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine?
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine has a molecular weight of 233.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 95821351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).