N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide

C19H25N5O2 — CID 177054960

IUPACN-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide
SMILESCCNc1cc(CNC(=O)c2ccc(N3CC(OC)C3)cc2)nc(C)n1
InChIInChI=1S/C19H25N5O2/c1-4-20-18-9-15(22-13(2)23-18)10-21-19(25)14-5-7-16(8-6-14)24-11-17(12-24)26-3/h5-9,17H,4,10-12H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyKUNAHRIDSWVQLJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.98
Rot. Bonds7

About N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide

N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide (PubChem CID 177054960) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide
PubChem CID177054960
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide
SMILESCCNc1cc(CNC(=O)c2ccc(N3CC(OC)C3)cc2)nc(C)n1
InChIInChI=1S/C19H25N5O2/c1-4-20-18-9-15(22-13(2)23-18)10-21-19(25)14-5-7-16(8-6-14)24-11-17(12-24)26-3/h5-9,17H,4,10-12H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyKUNAHRIDSWVQLJ-UHFFFAOYSA-N
XLogP1.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexane;N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide;N-(2-methoxyethyl)formamide
CID 177054884
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 91814615
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
CID 175473879
N-ethyl-6-(4-methoxypiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 80783406
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
CID 163271872
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980

Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide?
The IUPAC name of N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide (CID 177054960) is N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide.
What is the SMILES notation for N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide?
The canonical SMILES for N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide is CCNc1cc(CNC(=O)c2ccc(N3CC(OC)C3)cc2)nc(C)n1.
What is the InChIKey of N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide?
The InChIKey is KUNAHRIDSWVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-20-18-9-15(22-13(2)23-18)10-21-19(25)14-5-7-16(8-6-14)24-11-17(12-24)26-3/h5-9,17H,4,10-12H2,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide?
N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide is sourced from PubChem (CID 177054960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).