4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80815574

IUPAC4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)C(C)C(C)(C)C)c1C
InChIInChI=1S/C16H30N4/c1-9-10-17-14-11(2)15(19-13(4)18-14)20(8)12(3)16(5,6)7/h12H,9-10H2,1-8H3,(H,17,18,19)
InChIKeyZKSFDGIQNFDDES-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds5

About 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80815574) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80815574
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(C)C(C)C(C)(C)C)c1C
InChIInChI=1S/C16H30N4/c1-9-10-17-14-11(2)15(19-13(4)18-14)20(8)12(3)16(5,6)7/h12H,9-10H2,1-8H3,(H,17,18,19)
InChIKeyZKSFDGIQNFDDES-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811510
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80785196
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80788946

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80815574) is 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(C)C(C)C(C)(C)C)c1C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZKSFDGIQNFDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-9-10-17-14-11(2)15(19-13(4)18-14)20(8)12(3)16(5,6)7/h12H,9-10H2,1-8H3,(H,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).