N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109361970

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCC(C)C)nc(C)n2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)12-21-18-11-17(22-14(3)23-18)19(24)20-9-8-15-6-5-7-16(10-15)25-4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyCNKGGGAVYVCNNT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109361970) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109361970
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCC(C)C)nc(C)n2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)12-21-18-11-17(22-14(3)23-18)19(24)20-9-8-15-6-5-7-16(10-15)25-4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyCNKGGGAVYVCNNT-UHFFFAOYSA-N
XLogP2.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371330
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
6-(4-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372162
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109361970) is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(NCC(C)C)nc(C)n2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is CNKGGGAVYVCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)12-21-18-11-17(22-14(3)23-18)19(24)20-9-8-15-6-5-7-16(10-15)25-4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.83, 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-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).