4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

C12H22N4 — CID 80934109

IUPAC4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(C)C(C)CC)n1
InChIInChI=1S/C12H22N4/c1-6-9(3)16(5)12-8-11(13-4)14-10(7-2)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyRASGAKDIYZYMFJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.32
Rot. Bonds5

About 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80934109) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80934109
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(C)C(C)CC)n1
InChIInChI=1S/C12H22N4/c1-6-9(3)16(5)12-8-11(13-4)14-10(7-2)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyRASGAKDIYZYMFJ-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80941500
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
2-(methoxymethyl)-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 113401382
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80793867
2-ethyl-4-N-(2-methoxyethyl)-6-N-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80935014
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80934878

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80934109) is 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)cc(N(C)C(C)CC)n1.
What is the InChIKey of 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is RASGAKDIYZYMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-9(3)16(5)12-8-11(13-4)14-10(7-2)15-12/h8-9H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).