ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C15H27N3 — CID 145380217

IUPACethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC.Cc1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C13H21N3.C2H6/c1-10(2)12-4-6-16(7-5-12)13-14-8-11(3)9-15-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3
InChIKeySNTKBGDSXYXXIB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.68
Rot. Bonds2

About ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 145380217) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID145380217
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Nameethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC.Cc1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C13H21N3.C2H6/c1-10(2)12-4-6-16(7-5-12)13-14-8-11(3)9-15-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3
InChIKeySNTKBGDSXYXXIB-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Azabicyclo[2.2.2]oct-2-ene, 3-(5-pyrimidinyl)-
CID 10877865
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
5-(Piperidin-4-yl)pyrimidine
CID 24904194
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-methoxy-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45229858
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 145380217) is ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CC.Cc1cnc(N2CCC(C(C)C)CC2)nc1.
What is the InChIKey of ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is SNTKBGDSXYXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C2H6/c1-10(2)12-4-6-16(7-5-12)13-14-8-11(3)9-15-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 249.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 145380217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).