5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide

C15H17ClN4O2 — CID 91967691

IUPAC5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C15H17ClN4O2/c1-20(2)15-17-7-6-11(19-15)9-18-14(21)12-8-10(16)4-5-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyRWGYCJUXXNLCEW-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 91967691) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID91967691
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C15H17ClN4O2/c1-20(2)15-17-7-6-11(19-15)9-18-14(21)12-8-10(16)4-5-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyRWGYCJUXXNLCEW-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
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CID 108770761
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
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2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
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N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
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5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
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5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
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5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide (CID 91967691) is 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is RWGYCJUXXNLCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-20(2)15-17-7-6-11(19-15)9-18-14(21)12-8-10(16)4-5-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 320.78 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 91967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).