1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane

C14H24N4 — CID 94075421

IUPAC1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCCc1nc(CC)c(C)c(N2CCCNCC2)n1
InChIInChI=1S/C14H24N4/c1-4-12-11(3)14(17-13(5-2)16-12)18-9-6-7-15-8-10-18/h15H,4-10H2,1-3H3
InChIKeyWFIWOOJGWSFOIJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.71
Rot. Bonds3

About 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane

1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane (PubChem CID 94075421) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
PubChem CID94075421
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
SMILESCCc1nc(CC)c(C)c(N2CCCNCC2)n1
InChIInChI=1S/C14H24N4/c1-4-12-11(3)14(17-13(5-2)16-12)18-9-6-7-15-8-10-18/h15H,4-10H2,1-3H3
InChIKeyWFIWOOJGWSFOIJ-UHFFFAOYSA-N
XLogP1.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
2,4,6-triethyl-5-methylpyrimidine
CID 14199148
2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine
CID 82169410
1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80983649
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-1,4-diazepane
CID 56767279
5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 80983579
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 103739604
1-(3-ethyl-1-methylpyrazol-4-yl)-1,5-diazocane
CID 107464575
[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazine
CID 66936000

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane (CID 94075421) is 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane is CCc1nc(CC)c(C)c(N2CCCNCC2)n1.
What is the InChIKey of 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane?
The InChIKey is WFIWOOJGWSFOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-11(3)14(17-13(5-2)16-12)18-9-6-7-15-8-10-18/h15H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane?
1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane has a molecular weight of 248.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 94075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).