2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

C21H30N4O2 — CID 54852026

IUPAC2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCCCCCCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-5-6-7-8-9-14-27-17-12-10-16(11-13-17)19-18(20(26)25(3)4)15(2)23-21(22)24-19/h10-13H,5-9,14H2,1-4H3,(H2,22,23,24)
InChIKeyVPRDUIMWJHXLHS-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.09
Rot. Bonds9

About 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852026) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852026
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCCCCCCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-5-6-7-8-9-14-27-17-12-10-16(11-13-17)19-18(20(26)25(3)4)15(2)23-21(22)24-19/h10-13H,5-9,14H2,1-4H3,(H2,22,23,24)
InChIKeyVPRDUIMWJHXLHS-UHFFFAOYSA-N
XLogP4.09
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2,4-diamino-6-(4-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169396287
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
CID 54852320
1,4-bis(4-hexoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162196378
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852026) is 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is CCCCCCCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is VPRDUIMWJHXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-6-7-8-9-14-27-17-12-10-16(11-13-17)19-18(20(26)25(3)4)15(2)23-21(22)24-19/h10-13H,5-9,14H2,1-4H3,(H2,22,23,24).
What are the key properties of 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).