6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine

C17H24N4 — CID 115915170

IUPAC6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)C(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-11-16(19-13(4)12(2)3)21-17(20-15)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyRELQLUDLVUMQDJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.03
Rot. Bonds6

About 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915170) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
PubChem CID115915170
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)C(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-5-18-15-11-16(19-13(4)12(2)3)21-17(20-15)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyRELQLUDLVUMQDJ-UHFFFAOYSA-N
XLogP4.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-phenylpyrimidin-4-amine
CID 115916157
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine (CID 115915170) is 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine is CCNc1cc(NC(C)C(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is RELQLUDLVUMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-15-11-16(19-13(4)12(2)3)21-17(20-15)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).