6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide

C18H24N4O2 — CID 109360220

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-9-20-18(23)16-12-17(22-13(2)21-16)19-10-8-14-6-5-7-15(11-14)24-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyCEIWKYKMDFXIOU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.59
Rot. Bonds8

About 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360220) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360220
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H24N4O2/c1-4-9-20-18(23)16-12-17(22-13(2)21-16)19-10-8-14-6-5-7-15(11-14)24-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyCEIWKYKMDFXIOU-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-(4-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372162
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360220) is 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(NCCc2cccc(OC)c2)nc(C)n1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is CEIWKYKMDFXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-9-20-18(23)16-12-17(22-13(2)21-16)19-10-8-14-6-5-7-15(11-14)24-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).