5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C12H20N4O2 — CID 55041532

IUPAC5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-18-4/h7-8H,5-6,13H2,1-4H3
InChIKeySHGRFDQPCAZVJG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.90
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 55041532) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID55041532
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCN(C)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H20N4O2/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-18-4/h7-8H,5-6,13H2,1-4H3
InChIKeySHGRFDQPCAZVJG-UHFFFAOYSA-N
XLogP0.90
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 55041532) is 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is COCCN(C)C(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is SHGRFDQPCAZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)11-14-7-9(13)10(15-11)12(17)16(3)5-6-18-4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55041532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).