1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine

C12H22N4 — CID 115306257

IUPAC1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4/c1-5-12(13,6-2)8-14-11-7-9(3)15-10(4)16-11/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyMSQJUZLTDFESCU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.02
Rot. Bonds5

About 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine

1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine (PubChem CID 115306257) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
PubChem CID115306257
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4/c1-5-12(13,6-2)8-14-11-7-9(3)15-10(4)16-11/h7H,5-6,8,13H2,1-4H3,(H,14,15,16)
InChIKeyMSQJUZLTDFESCU-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 83619844
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
2-ethyl-1-N-(2-methylpyrimidin-4-yl)butane-1,2-diamine
CID 115306100
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
2-N-(2,6-dimethylpyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 64551143
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
CID 113434162
4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine (CID 115306257) is 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNc1cc(C)nc(C)n1.
What is the InChIKey of 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine?
The InChIKey is MSQJUZLTDFESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-12(13,6-2)8-14-11-7-9(3)15-10(4)16-11/h7H,5-6,8,13H2,1-4H3,(H,14,15,16).
What are the key properties of 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine?
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 115306257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).