N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide

C21H29N5O2 — CID 112853712

IUPACN,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-3-26(4-2)21(27)18-16-19(22-10-11-25-12-14-28-15-13-25)24-20(23-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,23,24)
InChIKeyYBXRDVVWLMCMTI-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.37
Rot. Bonds8

About N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide

N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853712) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853712
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-3-26(4-2)21(27)18-16-19(22-10-11-25-12-14-28-15-13-25)24-20(23-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,23,24)
InChIKeyYBXRDVVWLMCMTI-UHFFFAOYSA-N
XLogP2.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853652
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-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109325248
6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853712) is N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is YBXRDVVWLMCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-26(4-2)21(27)18-16-19(22-10-11-25-12-14-28-15-13-25)24-20(23-18)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,22,23,24).
What are the key properties of N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).