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

C17H24N4 — CID 80948063

IUPAC4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-12-16(20-17(19-15)13(3)4)21(6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyWRHHPRJLKMCLAK-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.19
Rot. Bonds6

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

4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80948063) 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-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80948063
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-12-16(20-17(19-15)13(3)4)21(6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyWRHHPRJLKMCLAK-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

6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959806
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268
4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872102
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
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
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80948063) is 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(CC)c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WRHHPRJLKMCLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-15-12-16(20-17(19-15)13(3)4)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-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-phenyl-2-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-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80948063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).