6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C12H20N4O2 — CID 109360580

IUPAC6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)14-12(17)10-7-11(13-5-6-18-4)16-9(3)15-10/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyNSWLQFSGOVITIR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.98
Rot. Bonds6

About 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360580) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360580
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)14-12(17)10-7-11(13-5-6-18-4)16-9(3)15-10/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyNSWLQFSGOVITIR-UHFFFAOYSA-N
XLogP0.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360580) is 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)NC(C)C)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is NSWLQFSGOVITIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)14-12(17)10-7-11(13-5-6-18-4)16-9(3)15-10/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16).
What are the key properties of 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).