N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

C19H27N5O2 — CID 109364760

IUPACN-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCCOC)nc(C)n2)cc1
InChIInChI=1S/C19H27N5O2/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-13-18(20-11-12-26-4)22-14(3)21-17/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyPTAPLIQMPDIWOJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.94
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364760) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364760
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCCOC)nc(C)n2)cc1
InChIInChI=1S/C19H27N5O2/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-13-18(20-11-12-26-4)22-14(3)21-17/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyPTAPLIQMPDIWOJ-UHFFFAOYSA-N
XLogP2.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (CID 109364760) is N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NCCOC)nc(C)n2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PTAPLIQMPDIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-5-24(6-2)16-9-7-15(8-10-16)23-19(25)17-13-18(20-11-12-26-4)22-14(3)21-17/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,25)(H,20,21,22).
What are the key properties of N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).