2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C16H28N4 — CID 80982764

IUPAC2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(N(C)C(C)C(C)(C)C)c1C
InChIInChI=1S/C16H28N4/c1-10-13(17-6)18-14(12-8-9-12)19-15(10)20(7)11(2)16(3,4)5/h11-12H,8-9H2,1-7H3,(H,17,18,19)
InChIKeyVTGYGFAESKVFOM-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.57
Rot. Bonds4

About 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80982764) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80982764
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(N(C)C(C)C(C)(C)C)c1C
InChIInChI=1S/C16H28N4/c1-10-13(17-6)18-14(12-8-9-12)19-15(10)20(7)11(2)16(3,4)5/h11-12H,8-9H2,1-7H3,(H,17,18,19)
InChIKeyVTGYGFAESKVFOM-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993505
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615
2-[cyanomethyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80976424
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80986623
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80982764) is 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(N(C)C(C)C(C)(C)C)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is VTGYGFAESKVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-10-13(17-6)18-14(12-8-9-12)19-15(10)20(7)11(2)16(3,4)5/h11-12H,8-9H2,1-7H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).