2-(3-methylhexyl)-4-propylpyrimidine

C14H24N2 — CID 142121373

IUPAC2-(3-methylhexyl)-4-propylpyrimidine
SMILESCCCc1ccnc(CCC(C)CCC)n1
InChIInChI=1S/C14H24N2/c1-4-6-12(3)8-9-14-15-11-10-13(16-14)7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyCXDLBPFOGBMNSE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.80
Rot. Bonds7

About 2-(3-methylhexyl)-4-propylpyrimidine

2-(3-methylhexyl)-4-propylpyrimidine (PubChem CID 142121373) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(3-methylhexyl)-4-propylpyrimidine.

Molecular Properties

Compound Name2-(3-methylhexyl)-4-propylpyrimidine
PubChem CID142121373
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(3-methylhexyl)-4-propylpyrimidine
SMILESCCCc1ccnc(CCC(C)CCC)n1
InChIInChI=1S/C14H24N2/c1-4-6-12(3)8-9-14-15-11-10-13(16-14)7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyCXDLBPFOGBMNSE-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2,4-dipropylpyrimidine
CID 174500974
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
4-butyl-2-propylpyrimidine
CID 20597890
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
2-propan-2-yl-4-propylpyrimidine
CID 58111235
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
CID 71109501
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
CID 142120097
2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 55114345
(Z)-6-butyl-5-[(4-propylpyrimidin-2-yl)methyl]dec-4-en-3-one;ethane
CID 142120524
2-(3-methylpentyl)pyrimidine
CID 57256204

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylhexyl)-4-propylpyrimidine?
The IUPAC name of 2-(3-methylhexyl)-4-propylpyrimidine (CID 142121373) is 2-(3-methylhexyl)-4-propylpyrimidine.
What is the SMILES notation for 2-(3-methylhexyl)-4-propylpyrimidine?
The canonical SMILES for 2-(3-methylhexyl)-4-propylpyrimidine is CCCc1ccnc(CCC(C)CCC)n1.
What is the InChIKey of 2-(3-methylhexyl)-4-propylpyrimidine?
The InChIKey is CXDLBPFOGBMNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-12(3)8-9-14-15-11-10-13(16-14)7-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(3-methylhexyl)-4-propylpyrimidine?
2-(3-methylhexyl)-4-propylpyrimidine has a molecular weight of 220.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylhexyl)-4-propylpyrimidine is sourced from PubChem (CID 142121373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).