N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide

C18H24N4O2 — CID 109248666

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCC(C)C)nc2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)10-20-18-21-11-15(12-22-18)17(23)19-8-7-14-5-4-6-16(9-14)24-3/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeySFTJXECGEBRRFZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide (PubChem CID 109248666) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
PubChem CID109248666
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(NCC(C)C)nc2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)10-20-18-21-11-15(12-22-18)17(23)19-8-7-14-5-4-6-16(9-14)24-3/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeySFTJXECGEBRRFZ-UHFFFAOYSA-N
XLogP2.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide (CID 109248666) is N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide is COc1cccc(CCNC(=O)c2cnc(NCC(C)C)nc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is SFTJXECGEBRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)10-20-18-21-11-15(12-22-18)17(23)19-8-7-14-5-4-6-16(9-14)24-3/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).