N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide

C21H30N6O2 — CID 109366826

IUPACN-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C21H30N6O2/c1-16-23-18(21(28)22-9-6-10-26(2)3)15-20(24-16)25-17-7-4-5-8-19(17)27-11-13-29-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,28)(H,23,24,25)
InChIKeyKFMQMFMDMWLYGJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.05
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109366826) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
PubChem CID109366826
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C21H30N6O2/c1-16-23-18(21(28)22-9-6-10-26(2)3)15-20(24-16)25-17-7-4-5-8-19(17)27-11-13-29-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,28)(H,23,24,25)
InChIKeyKFMQMFMDMWLYGJ-UHFFFAOYSA-N
XLogP2.05
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide (CID 109366826) is N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2N2CCOCC2)cc(C(=O)NCCCN(C)C)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is KFMQMFMDMWLYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16-23-18(21(28)22-9-6-10-26(2)3)15-20(24-16)25-17-7-4-5-8-19(17)27-11-13-29-14-12-27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,28)(H,23,24,25).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).