N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide

C12H11ClN4O — CID 86618739

IUPACN-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(N)ncnc1Cl
InChIInChI=1S/C12H11ClN4O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16)
InChIKeyNNHGVUCXVJCFJK-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.99
Rot. Bonds2

About N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide

N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide (PubChem CID 86618739) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide
PubChem CID86618739
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(N)ncnc1Cl
InChIInChI=1S/C12H11ClN4O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16)
InChIKeyNNHGVUCXVJCFJK-UHFFFAOYSA-N
XLogP1.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide?
The IUPAC name of N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide (CID 86618739) is N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide.
What is the SMILES notation for N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide?
The canonical SMILES for N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1c(N)ncnc1Cl.
What is the InChIKey of N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide?
The InChIKey is NNHGVUCXVJCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16).
What are the key properties of N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide?
N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide has a molecular weight of 262.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide is sourced from PubChem (CID 86618739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).