4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine

C12H22N4 — CID 80754266

IUPAC4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVKIQIVCBEZPLAS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.25
Rot. Bonds6

About 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine

4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80754266) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80754266
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVKIQIVCBEZPLAS-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80805333
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
4-N-butyl-4-N-ethylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407373
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
CID 80821387
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine (CID 80754266) is 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine is CCCCN(CC)c1ncnc(N)c1CC.
What is the InChIKey of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is VKIQIVCBEZPLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).