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

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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).