4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 106900939

IUPAC4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2cc(NC)nc(C(C)C)n2)cc1
InChIInChI=1S/C17H24N4/c1-5-13-6-8-14(9-7-13)11-19-16-10-15(18-4)20-17(21-16)12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyGJRZJNSXNDXGEB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.82
Rot. Bonds6

About 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 106900939) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID106900939
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2cc(NC)nc(C(C)C)n2)cc1
InChIInChI=1S/C17H24N4/c1-5-13-6-8-14(9-7-13)11-19-16-10-15(18-4)20-17(21-16)12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21)
InChIKeyGJRZJNSXNDXGEB-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 82751429
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
6-N-methyl-2-methylsulfanyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80793102
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 106900939) is 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCc1ccc(CNc2cc(NC)nc(C(C)C)n2)cc1.
What is the InChIKey of 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GJRZJNSXNDXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-13-6-8-14(9-7-13)11-19-16-10-15(18-4)20-17(21-16)12(2)3/h6-10,12H,5,11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106900939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).