6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 80956228

IUPAC6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-17-14-11-15(19-16(18-14)12(2)3)20(4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyHYSWSJFTIFVTNM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.80
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956228) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956228
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-17-14-11-15(19-16(18-14)12(2)3)20(4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyHYSWSJFTIFVTNM-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80948063
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640212
4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958179
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80961038
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956228) is 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(C)c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is HYSWSJFTIFVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-14-11-15(19-16(18-14)12(2)3)20(4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.80, 5 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-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).