2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine

C14H17N3 — CID 170196877

IUPAC2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine
SMILESCC(C)c1cccc(CCc2ncccn2)n1
InChIInChI=1S/C14H17N3/c1-11(2)13-6-3-5-12(17-13)7-8-14-15-9-4-10-16-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCMECKJFUHBQUHR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine

2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine (PubChem CID 170196877) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine
PubChem CID170196877
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine
SMILESCC(C)c1cccc(CCc2ncccn2)n1
InChIInChI=1S/C14H17N3/c1-11(2)13-6-3-5-12(17-13)7-8-14-15-9-4-10-16-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCMECKJFUHBQUHR-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 138538363
2-methyl-6-propan-2-ylpyridine
CID 12791785
2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709403
N-methyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 156651988
2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 167579061
(6-propan-2-yl-2-pyridinyl)methyl carbamate
CID 175093258
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine
CID 134417293
6-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 70974280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine?
The IUPAC name of 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine (CID 170196877) is 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine.
What is the SMILES notation for 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine?
The canonical SMILES for 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine is CC(C)c1cccc(CCc2ncccn2)n1.
What is the InChIKey of 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine?
The InChIKey is CMECKJFUHBQUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(2)13-6-3-5-12(17-13)7-8-14-15-9-4-10-16-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine?
2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine is sourced from PubChem (CID 170196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).