N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide

C17H20N4O2 — CID 109247890

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C17H20N4O2/c1-3-9-19-17-20-11-14(12-21-17)16(22)18-10-8-13-6-4-5-7-15(13)23-2/h3-7,11-12H,1,8-10H2,2H3,(H,18,22)(H,19,20,21)
InChIKeySRHMKLFGYZHDPF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds8

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

N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 109247890) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID109247890
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C17H20N4O2/c1-3-9-19-17-20-11-14(12-21-17)16(22)18-10-8-13-6-4-5-7-15(13)23-2/h3-7,11-12H,1,8-10H2,2H3,(H,18,22)(H,19,20,21)
InChIKeySRHMKLFGYZHDPF-UHFFFAOYSA-N
XLogP2.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
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

2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260197
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 109247890) is N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)NCCc2ccccc2OC)cn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is SRHMKLFGYZHDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-9-19-17-20-11-14(12-21-17)16(22)18-10-8-13-6-4-5-7-15(13)23-2/h3-7,11-12H,1,8-10H2,2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).