6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide

C21H29N5O2 — CID 112852227

IUPAC6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-2-3-9-22-19-16-18(24-20(25-19)17-7-5-4-6-8-17)21(27)23-10-11-26-12-14-28-15-13-26/h4-8,16H,2-3,9-15H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyJWKNPOUXHINVMD-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.42
Rot. Bonds9

About 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide

6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852227) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852227
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-2-3-9-22-19-16-18(24-20(25-19)17-7-5-4-6-8-17)21(27)23-10-11-26-12-14-28-15-13-26/h4-8,16H,2-3,9-15H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyJWKNPOUXHINVMD-UHFFFAOYSA-N
XLogP2.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.42
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

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-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide (CID 112852227) is 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)NCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is JWKNPOUXHINVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-3-9-22-19-16-18(24-20(25-19)17-7-5-4-6-8-17)21(27)23-10-11-26-12-14-28-15-13-26/h4-8,16H,2-3,9-15H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide?
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).