2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

C16H20N4 — CID 112867661

IUPAC2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4/c1-4-10-17-15-11-16(20-13(3)19-15)18-12(2)14-8-6-5-7-9-14/h4-9,11-12H,1,10H2,2-3H3,(H2,17,18,19,20)
InChIKeyRZIWXOVTFSACKA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.56
Rot. Bonds6

About 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112867661) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112867661
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4/c1-4-10-17-15-11-16(20-13(3)19-15)18-12(2)14-8-6-5-7-9-14/h4-9,11-12H,1,10H2,2-3H3,(H2,17,18,19,20)
InChIKeyRZIWXOVTFSACKA-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872102
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872040
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112867661) is 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(NC(C)c2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is RZIWXOVTFSACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-4-10-17-15-11-16(20-13(3)19-15)18-12(2)14-8-6-5-7-9-14/h4-9,11-12H,1,10H2,2-3H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).