2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide

C19H25N5O — CID 109295704

IUPAC2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NC3CC3)n2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)22-18(25)17-10-11-20-19(23-17)21-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyFVKWDFYQMCKRBJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds7

About 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide

2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (PubChem CID 109295704) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
PubChem CID109295704
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(NC3CC3)n2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)22-18(25)17-10-11-20-19(23-17)21-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyFVKWDFYQMCKRBJ-UHFFFAOYSA-N
XLogP3.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307014
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (CID 109295704) is 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(NC3CC3)n2)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The InChIKey is FVKWDFYQMCKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-24(5-2)15-8-9-16(13(3)12-15)22-18(25)17-10-11-20-19(23-17)21-14-6-7-14/h8-12,14H,4-7H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).