4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine

C14H17N3 — CID 134451931

IUPAC4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
SMILESCCc1nc(C)nc(Cc2cccnc2)c1C
InChIInChI=1S/C14H17N3/c1-4-13-10(2)14(17-11(3)16-13)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3
InChIKeyDEIPTDMEBXDPRO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds3

About 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine

4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine (PubChem CID 134451931) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
PubChem CID134451931
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
SMILESCCc1nc(C)nc(Cc2cccnc2)c1C
InChIInChI=1S/C14H17N3/c1-4-13-10(2)14(17-11(3)16-13)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3
InChIKeyDEIPTDMEBXDPRO-UHFFFAOYSA-N
XLogP2.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737212
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447077
N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447071
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine?
The IUPAC name of 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine (CID 134451931) is 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine is CCc1nc(C)nc(Cc2cccnc2)c1C.
What is the InChIKey of 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine?
The InChIKey is DEIPTDMEBXDPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-13-10(2)14(17-11(3)16-13)8-12-6-5-7-15-9-12/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine?
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 134451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).