(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide

C18H22N4O — CID 122322338

IUPAC(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1cc(N(C)C)nc(CNC(=O)/C=C/c2ccccc2C)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-6-8-15(13)9-10-18(23)19-12-16-20-14(2)11-17(21-16)22(3)4/h5-11H,12H2,1-4H3,(H,19,23)/b10-9+
InChIKeyVIWMQJFWEWMIQB-MDZDMXLPSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds5

About (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide

(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide (PubChem CID 122322338) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide
PubChem CID122322338
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide
SMILESCc1cc(N(C)C)nc(CNC(=O)/C=C/c2ccccc2C)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-6-8-15(13)9-10-18(23)19-12-16-20-14(2)11-17(21-16)22(3)4/h5-11H,12H2,1-4H3,(H,19,23)/b10-9+
InChIKeyVIWMQJFWEWMIQB-MDZDMXLPSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide (CID 122322338) is (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide is Cc1cc(N(C)C)nc(CNC(=O)/C=C/c2ccccc2C)n1.
What is the InChIKey of (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is VIWMQJFWEWMIQB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-5-6-8-15(13)9-10-18(23)19-12-16-20-14(2)11-17(21-16)22(3)4/h5-11H,12H2,1-4H3,(H,19,23)/b10-9+.
What are the key properties of (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide?
(E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 122322338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).