6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

C16H30N4 — CID 80812195

IUPAC6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)(C)CC(C)(C)C)c1C
InChIInChI=1S/C16H30N4/c1-9-17-13-11(2)14(19-12(3)18-13)20-16(7,8)10-15(4,5)6/h9-10H2,1-8H3,(H2,17,18,19,20)
InChIKeyOUEWOKDUXRZXBV-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.15
Rot. Bonds5

About 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80812195) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80812195
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)(C)CC(C)(C)C)c1C
InChIInChI=1S/C16H30N4/c1-9-17-13-11(2)14(19-12(3)18-13)20-16(7,8)10-15(4,5)6/h9-10H2,1-8H3,(H2,17,18,19,20)
InChIKeyOUEWOKDUXRZXBV-UHFFFAOYSA-N
XLogP4.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 135201749
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (CID 80812195) is 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(C)(C)CC(C)(C)C)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OUEWOKDUXRZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-9-17-13-11(2)14(19-12(3)18-13)20-16(7,8)10-15(4,5)6/h9-10H2,1-8H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80812195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).