6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

C16H30N4 — CID 80993169

IUPAC6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(N(C)C(CC)CC)c1C
InChIInChI=1S/C16H30N4/c1-8-13(9-2)20(7)16-12(6)15(17-10-3)18-14(19-16)11(4)5/h11,13H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHYEQLMVUOUNGMC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.97
Rot. Bonds7

About 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80993169) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80993169
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(N(C)C(CC)CC)c1C
InChIInChI=1S/C16H30N4/c1-8-13(9-2)20(7)16-12(6)15(17-10-3)18-14(19-16)11(4)5/h11,13H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHYEQLMVUOUNGMC-UHFFFAOYSA-N
XLogP3.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983477
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984018
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621
6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80837745

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80993169) is 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(N(C)C(CC)CC)c1C.
What is the InChIKey of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is HYEQLMVUOUNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-8-13(9-2)20(7)16-12(6)15(17-10-3)18-14(19-16)11(4)5/h11,13H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).