N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109343362

IUPACN-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C16H20N4O2/c1-12-4-6-13(7-5-12)20-15-10-14(18-11-19-15)16(21)17-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBVFIYYROICONSV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.29
Rot. Bonds7

About N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109343362) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109343362
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C16H20N4O2/c1-12-4-6-13(7-5-12)20-15-10-14(18-11-19-15)16(21)17-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBVFIYYROICONSV-UHFFFAOYSA-N
XLogP2.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-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

6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343382
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109343097
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109353678
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 109343362) is N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2ccc(C)cc2)ncn1.
What is the InChIKey of N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is BVFIYYROICONSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-6-13(7-5-12)20-15-10-14(18-11-19-15)16(21)17-8-3-9-22-2/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).