N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C18H25N5O2 — CID 109253326

IUPACN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17(24)15-12-21-18(22-13-15)20-11-14-5-7-16(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyJPMMVYWAXRMARG-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109253326) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109253326
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17(24)15-12-21-18(22-13-15)20-11-14-5-7-16(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyJPMMVYWAXRMARG-UHFFFAOYSA-N
XLogP1.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109253326) is N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)NCCCN(C)C)cn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is JPMMVYWAXRMARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17(24)15-12-21-18(22-13-15)20-11-14-5-7-16(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).