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

C17H32N4 — CID 80791096

IUPAC6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)(C)CC(C)(C)C)c1C(C)C
InChIInChI=1S/C17H32N4/c1-9-18-14-13(12(2)3)15(20-11-19-14)21-17(7,8)10-16(4,5)6/h11-12H,9-10H2,1-8H3,(H2,18,19,20,21)
InChIKeySPDDQNIBFAJIAM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.66
Rot. Bonds6

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

6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80791096) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80791096
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)(C)CC(C)(C)C)c1C(C)C
InChIInChI=1S/C17H32N4/c1-9-18-14-13(12(2)3)15(20-11-19-14)21-17(7,8)10-16(4,5)6/h11-12H,9-10H2,1-8H3,(H2,18,19,20,21)
InChIKeySPDDQNIBFAJIAM-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767834
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine (CID 80791096) is 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is CCNc1ncnc(NC(C)(C)CC(C)(C)C)c1C(C)C.
What is the InChIKey of 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is SPDDQNIBFAJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-9-18-14-13(12(2)3)15(20-11-19-14)21-17(7,8)10-16(4,5)6/h11-12H,9-10H2,1-8H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine?
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80791096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).