2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

C12H22N4 — CID 80933289

IUPAC2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-11-14-10(13)7-12(15-11)16(5)9(4)8(2)3/h7-9H,6H2,1-5H3,(H2,13,14,15)
InChIKeyMXBXUNYYHPLFMG-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.10
Rot. Bonds4

About 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80933289) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80933289
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-11-14-10(13)7-12(15-11)16(5)9(4)8(2)3/h7-9H,6H2,1-5H3,(H2,13,14,15)
InChIKeyMXBXUNYYHPLFMG-UHFFFAOYSA-N
XLogP2.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80934593
4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80934465
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955011
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80776688
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine
CID 102809431
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80933289) is 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is CCc1nc(N)cc(N(C)C(C)C(C)C)n1.
What is the InChIKey of 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is MXBXUNYYHPLFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-11-14-10(13)7-12(15-11)16(5)9(4)8(2)3/h7-9H,6H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).