N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide

C21H29N5O2 — CID 112852426

IUPACN-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-16(2)15-23-21(27)18-14-19(22-8-9-26-10-12-28-13-11-26)25-20(24-18)17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyUYMSXIAIKVZNLA-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.27
Rot. Bonds8

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

N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852426) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852426
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N5O2/c1-16(2)15-23-21(27)18-14-19(22-8-9-26-10-12-28-13-11-26)25-20(24-18)17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyUYMSXIAIKVZNLA-UHFFFAOYSA-N
XLogP2.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
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
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
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
[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112852347
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109111166
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112853813

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112852426) is N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is CC(C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is UYMSXIAIKVZNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16(2)15-23-21(27)18-14-19(22-8-9-26-10-12-28-13-11-26)25-20(24-18)17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).