N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

C19H27N5O2 — CID 109343241

IUPACN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCCCOC)ncn2)cc1
InChIInChI=1S/C19H27N5O2/c1-4-24(5-2)16-9-7-15(8-10-16)23-19(25)17-13-18(22-14-21-17)20-11-6-12-26-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyRZCGQGNJMDUQGU-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.02
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109343241) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109343241
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCCCOC)ncn2)cc1
InChIInChI=1S/C19H27N5O2/c1-4-24(5-2)16-9-7-15(8-10-16)23-19(25)17-13-18(22-14-21-17)20-11-6-12-26-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyRZCGQGNJMDUQGU-UHFFFAOYSA-N
XLogP3.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.02
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-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109343241) is N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NCCCOC)ncn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is RZCGQGNJMDUQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-24(5-2)16-9-7-15(8-10-16)23-19(25)17-13-18(22-14-21-17)20-11-6-12-26-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.02, 10 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-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).