N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide

C21H30N6O2 — CID 112853652

IUPACN-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H30N6O2/c1-26(2)10-8-23-21(28)18-16-19(22-9-11-27-12-14-29-15-13-27)25-20(24-18)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyFZABUJSFSZPITF-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.18
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853652) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853652
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H30N6O2/c1-26(2)10-8-23-21(28)18-16-19(22-9-11-27-12-14-29-15-13-27)25-20(24-18)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyFZABUJSFSZPITF-UHFFFAOYSA-N
XLogP1.18
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852426
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115327
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153848
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853652) is N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is FZABUJSFSZPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-26(2)10-8-23-21(28)18-16-19(22-9-11-27-12-14-29-15-13-27)25-20(24-18)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,23,28)(H,22,24,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).