N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide

C15H16N4O2 — CID 109247975

IUPACN-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C15H16N4O2/c1-3-8-16-15-17-9-11(10-18-15)14(20)19-12-6-4-5-7-13(12)21-2/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,16,17,18)
InChIKeyXGNXELKJHYCNDW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.34
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 109247975) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID109247975
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C15H16N4O2/c1-3-8-16-15-17-9-11(10-18-15)14(20)19-12-6-4-5-7-13(12)21-2/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,16,17,18)
InChIKeyXGNXELKJHYCNDW-UHFFFAOYSA-N
XLogP2.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109248020
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 5039717
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 109247975) is N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)Nc2ccccc2OC)cn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is XGNXELKJHYCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-8-16-15-17-9-11(10-18-15)14(20)19-12-6-4-5-7-13(12)21-2/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,16,17,18).
What are the key properties of N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).