2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine

C17H29N3 — CID 131998942

IUPAC2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(C(C)C(C)(C)C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-6-14-11-18-16(19-12-14)20-9-7-15(8-10-20)13(2)17(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJOAYYRCKXYUTFH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds3

About 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine

2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine (PubChem CID 131998942) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
PubChem CID131998942
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(C(C)C(C)(C)C)CC2)nc1
InChIInChI=1S/C17H29N3/c1-6-14-11-18-16(19-12-14)20-9-7-15(8-10-20)13(2)17(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJOAYYRCKXYUTFH-UHFFFAOYSA-N
XLogP3.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 59474375
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
(7aR)-2-(5-ethylpyrimidin-2-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 66837618
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine (CID 131998942) is 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CCC(C(C)C(C)(C)C)CC2)nc1.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is JOAYYRCKXYUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-14-11-18-16(19-12-14)20-9-7-15(8-10-20)13(2)17(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine?
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 275.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 131998942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).