4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C12H22N4 — CID 80767834

IUPAC4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)(C)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C12H22N4/c1-6-12(4,5)16-11-9(8(2)3)10(13)14-7-15-11/h7-8H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyZDJNKYQWRIJWSX-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.78
Rot. Bonds4

About 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80767834) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80767834
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(C)(C)Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C12H22N4/c1-6-12(4,5)16-11-9(8(2)3)10(13)14-7-15-11/h7-8H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyZDJNKYQWRIJWSX-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-(3,3-dimethylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 104830574
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
6-(2,2-dimethylhydrazinyl)-5-propan-2-ylpyrimidin-4-amine
CID 83027191
4-N-(4-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782939
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829528
4-N-(5-methylsulfanylpentyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114129044

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80767834) is 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CCC(C)(C)Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZDJNKYQWRIJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-12(4,5)16-11-9(8(2)3)10(13)14-7-15-11/h7-8H,6H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).