4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80756958

IUPAC4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC)c2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N4/c1-5-18-16-15(13(3)4)17(20-12-19-16)21(6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeySVMORIQLNHMIPZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.19
Rot. Bonds6

About 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80756958) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80756958
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC)c2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N4/c1-5-18-16-15(13(3)4)17(20-12-19-16)21(6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeySVMORIQLNHMIPZ-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80790302
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80756958) is 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N(CC)c2ccccc2)c1C(C)C.
What is the InChIKey of 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SVMORIQLNHMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-16-15(13(3)4)17(20-12-19-16)21(6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).