2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine

C15H23N3 — CID 95821591

IUPAC2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc([C@H]2CCCN(CC3CC3)C2)n1
InChIInChI=1S/C15H23N3/c1-11-8-12(2)17-15(16-11)14-4-3-7-18(10-14)9-13-5-6-13/h8,13-14H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyJFJHLZUCMIEQFS-AWEZNQCLSA-N
MW245.37 g/mol
LogP2.68
Rot. Bonds3

About 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine

2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine (PubChem CID 95821591) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
PubChem CID95821591
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc([C@H]2CCCN(CC3CC3)C2)n1
InChIInChI=1S/C15H23N3/c1-11-8-12(2)17-15(16-11)14-4-3-7-18(10-14)9-13-5-6-13/h8,13-14H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyJFJHLZUCMIEQFS-AWEZNQCLSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 124989956
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
3-[2-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-N,N-dimethylpropanamide
CID 124942486
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
[4-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]phenyl]methanol
CID 110257482
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
4-methyl-2-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100437

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine (CID 95821591) is 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc([C@H]2CCCN(CC3CC3)C2)n1.
What is the InChIKey of 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine?
The InChIKey is JFJHLZUCMIEQFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-8-12(2)17-15(16-11)14-4-3-7-18(10-14)9-13-5-6-13/h8,13-14H,3-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine?
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine has a molecular weight of 245.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 95821591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).