5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C19H25ClN4O2 — CID 86858519

IUPAC5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1nc(C(C)C)ncc1Cl)N(C)C
InChIInChI=1S/C19H25ClN4O2/c1-12(2)18-21-10-14(20)17(23-18)19(25)22-11-15(24(3)4)13-8-6-7-9-16(13)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,25)
InChIKeyRMIDIHGLMJNXHQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.29
Rot. Bonds7

About 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 86858519) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID86858519
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1nc(C(C)C)ncc1Cl)N(C)C
InChIInChI=1S/C19H25ClN4O2/c1-12(2)18-21-10-14(20)17(23-18)19(25)22-11-15(24(3)4)13-8-6-7-9-16(13)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,25)
InChIKeyRMIDIHGLMJNXHQ-UHFFFAOYSA-N
XLogP3.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 86858519) is 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is COc1ccccc1C(CNC(=O)c1nc(C(C)C)ncc1Cl)N(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RMIDIHGLMJNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-12(2)18-21-10-14(20)17(23-18)19(25)22-11-15(24(3)4)13-8-6-7-9-16(13)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,25).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 86858519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).