4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C12H20N4 — CID 115689924

IUPAC4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-16(2)12-14-9-7-11(15-12)13-8-6-10-4-3-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyGPUYNGPBAAYOKQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds5

About 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 115689924) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID115689924
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-16(2)12-14-9-7-11(15-12)13-8-6-10-4-3-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyGPUYNGPBAAYOKQ-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 64829485
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80612818
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
4-N-(2-cyclopentylethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80790236
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830676
4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 106142001
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 115689924) is 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NCCC2CCC2)n1.
What is the InChIKey of 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is GPUYNGPBAAYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16(2)12-14-9-7-11(15-12)13-8-6-10-4-3-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 115689924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).