4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide

C16H20N4O2 — CID 83567296

IUPAC4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
SMILESCCCCOc1ccccc1-c1ncc(C(=O)NC)c(N)n1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-22-13-8-6-5-7-11(13)15-19-10-12(14(17)20-15)16(21)18-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyHGPBADHOSXKVSN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide

4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide (PubChem CID 83567296) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
PubChem CID83567296
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
SMILESCCCCOc1ccccc1-c1ncc(C(=O)NC)c(N)n1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-22-13-8-6-5-7-11(13)15-19-10-12(14(17)20-15)16(21)18-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyHGPBADHOSXKVSN-UHFFFAOYSA-N
XLogP2.26
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.26
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

4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
4-amino-2-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567202
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
2-(2-butoxyphenyl)benzamide
CID 174985404
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
CID 115534586
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide (CID 83567296) is 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide is CCCCOc1ccccc1-c1ncc(C(=O)NC)c(N)n1.
What is the InChIKey of 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide?
The InChIKey is HGPBADHOSXKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-4-9-22-13-8-6-5-7-11(13)15-19-10-12(14(17)20-15)16(21)18-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20).
What are the key properties of 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide?
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).