6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109340422

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)11-20-18(23)16-10-17(22-12-21-16)19-8-7-14-5-4-6-15(9-14)24-3/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyRAAAPLHTNMPZPL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds8

About 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340422) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340422
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCC(C)C)ncn2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)11-20-18(23)16-10-17(22-12-21-16)19-8-7-14-5-4-6-15(9-14)24-3/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyRAAAPLHTNMPZPL-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

6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351338
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340422) is 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)NCC(C)C)ncn2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is RAAAPLHTNMPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)11-20-18(23)16-10-17(22-12-21-16)19-8-7-14-5-4-6-15(9-14)24-3/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-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 6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).