5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C13H20ClN3O2 — CID 112754436

IUPAC5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOC(C)CN(C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-15-6-10(14)11(16-12)13(18)17(4)7-9(3)19-5/h6,8-9H,7H2,1-5H3
InChIKeyBXVZOZIFCDAXQW-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.36
Rot. Bonds5

About 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112754436) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112754436
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOC(C)CN(C)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12-15-6-10(14)11(16-12)13(18)17(4)7-9(3)19-5/h6,8-9H,7H2,1-5H3
InChIKeyBXVZOZIFCDAXQW-UHFFFAOYSA-N
XLogP2.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 112754436) is 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is COC(C)CN(C)C(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BXVZOZIFCDAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)12-15-6-10(14)11(16-12)13(18)17(4)7-9(3)19-5/h6,8-9H,7H2,1-5H3.
What are the key properties of 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112754436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).