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

C11H19N5 — CID 121204943

IUPAC2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C11H19N5/c1-15(2)10-4-6-13-11(14-10)16-8-3-5-12-7-9-16/h4,6,12H,3,5,7-9H2,1-2H3
InChIKeyHJKWNUTVWPEOIE-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.34
Rot. Bonds2

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

2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 121204943) 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,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID121204943
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCCNCC2)n1
InChIInChI=1S/C11H19N5/c1-15(2)10-4-6-13-11(14-10)16-8-3-5-12-7-9-16/h4,6,12H,3,5,7-9H2,1-2H3
InChIKeyHJKWNUTVWPEOIE-UHFFFAOYSA-N
XLogP0.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672451
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 126892620
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 126899370

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine (CID 121204943) is 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CCCNCC2)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is HJKWNUTVWPEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15(2)10-4-6-13-11(14-10)16-8-3-5-12-7-9-16/h4,6,12H,3,5,7-9H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine?
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 221.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 121204943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).