1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane

C18H32N6 — CID 166231873

IUPAC1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
SMILESCCN1CCCN(c2cc(N3CCCN(CC)CC3)ncn2)CC1
InChIInChI=1S/C18H32N6/c1-3-21-7-5-9-23(13-11-21)17-15-18(20-16-19-17)24-10-6-8-22(4-2)12-14-24/h15-16H,3-14H2,1-2H3
InChIKeyGBLLVMYFAMROHP-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.54
Rot. Bonds4

About 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane

1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane (PubChem CID 166231873) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
PubChem CID166231873
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
SMILESCCN1CCCN(c2cc(N3CCCN(CC)CC3)ncn2)CC1
InChIInChI=1S/C18H32N6/c1-3-21-7-5-9-23(13-11-21)17-15-18(20-16-19-17)24-10-6-8-22(4-2)12-14-24/h15-16H,3-14H2,1-2H3
InChIKeyGBLLVMYFAMROHP-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
1-(2-chloroethyl)-4-(6-ethoxypyrimidin-4-yl)-1,4-diazepane
CID 66331346
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 133290411
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
3-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 61225492
1-(2-chloroethyl)-4-(6-propan-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 55184602
6-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 136568889

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane?
The IUPAC name of 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane (CID 166231873) is 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane is CCN1CCCN(c2cc(N3CCCN(CC)CC3)ncn2)CC1.
What is the InChIKey of 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane?
The InChIKey is GBLLVMYFAMROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-3-21-7-5-9-23(13-11-21)17-15-18(20-16-19-17)24-10-6-8-22(4-2)12-14-24/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane?
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane has a molecular weight of 332.50 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane is sourced from PubChem (CID 166231873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).