5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine

C18H30N4 — CID 95135800

IUPAC5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCC([C@@H](C)N2CCCC2)CC1
InChIInChI=1S/C18H30N4/c1-4-16-13-19-15(3)20-18(16)22-11-7-17(8-12-22)14(2)21-9-5-6-10-21/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyLUJYSLAARICRRL-CQSZACIVSA-N
MW302.47 g/mol
LogP3.05
Rot. Bonds4

About 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine

5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine (PubChem CID 95135800) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
PubChem CID95135800
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCC([C@@H](C)N2CCCC2)CC1
InChIInChI=1S/C18H30N4/c1-4-16-13-19-15(3)20-18(16)22-11-7-17(8-12-22)14(2)21-9-5-6-10-21/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyLUJYSLAARICRRL-CQSZACIVSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 72907206
[(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70779426
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 50972909
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine (CID 95135800) is 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine is CCc1cnc(C)nc1N1CCC([C@@H](C)N2CCCC2)CC1.
What is the InChIKey of 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine?
The InChIKey is LUJYSLAARICRRL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4/c1-4-16-13-19-15(3)20-18(16)22-11-7-17(8-12-22)14(2)21-9-5-6-10-21/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine?
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine has a molecular weight of 302.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 95135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).