2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine

C11H19N5 — CID 121204945

IUPAC2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C11H19N5/c1-2-13-10-4-6-14-11(15-10)16-8-3-5-12-7-9-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14,15)
InChIKeyMCAHBXPHIUELLA-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.71
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine

2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine (PubChem CID 121204945) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
PubChem CID121204945
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C11H19N5/c1-2-13-10-4-6-14-11(15-10)16-8-3-5-12-7-9-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14,15)
InChIKeyMCAHBXPHIUELLA-UHFFFAOYSA-N
XLogP0.71
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2,4-Diaminopyrimidine
CID 67431
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
4-Aminopyrimidine
CID 68958
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
N-methylpyrimidin-4-amine
CID 519971
N,N-Dimethylpyrimidin-4-amine
CID 579196
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine (CID 121204945) is 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(N2CCCNCC2)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is MCAHBXPHIUELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-13-10-4-6-14-11(15-10)16-8-3-5-12-7-9-16/h4,6,12H,2-3,5,7-9H2,1H3,(H,13,14,15).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine?
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 221.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 121204945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).