N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide

C21H23N5O2 — CID 112880342

IUPACN-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCNc1cc(Nc2ccc(NC(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-15(27)23-17-8-10-18(11-9-17)24-20-14-19(22-12-13-28-2)25-21(26-20)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyQNABZQUXXNSWNO-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.90
Rot. Bonds8

About N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112880342) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112880342
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCNc1cc(Nc2ccc(NC(C)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-15(27)23-17-8-10-18(11-9-17)24-20-14-19(22-12-13-28-2)25-21(26-20)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyQNABZQUXXNSWNO-UHFFFAOYSA-N
XLogP3.90
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
N-[4-[[6-(diethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881584
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
methyl 4-[[2-phenyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112879681
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide (CID 112880342) is N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide is COCCNc1cc(Nc2ccc(NC(C)=O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is QNABZQUXXNSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(27)23-17-8-10-18(11-9-17)24-20-14-19(22-12-13-28-2)25-21(26-20)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).