2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide

C14H15ClN4O — CID 77089173

IUPAC2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide
SMILESCCN(C)c1ccnc(-c2ccc(C(N)=O)c(Cl)c2)n1
InChIInChI=1S/C14H15ClN4O/c1-3-19(2)12-6-7-17-14(18-12)9-4-5-10(13(16)20)11(15)8-9/h4-8H,3H2,1-2H3,(H2,16,20)
InChIKeyZATICRSOSMQQTC-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide

2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide (PubChem CID 77089173) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide
PubChem CID77089173
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide
SMILESCCN(C)c1ccnc(-c2ccc(C(N)=O)c(Cl)c2)n1
InChIInChI=1S/C14H15ClN4O/c1-3-19(2)12-6-7-17-14(18-12)9-4-5-10(13(16)20)11(15)8-9/h4-8H,3H2,1-2H3,(H2,16,20)
InChIKeyZATICRSOSMQQTC-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide?
The IUPAC name of 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide (CID 77089173) is 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide is CCN(C)c1ccnc(-c2ccc(C(N)=O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide?
The InChIKey is ZATICRSOSMQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-3-19(2)12-6-7-17-14(18-12)9-4-5-10(13(16)20)11(15)8-9/h4-8H,3H2,1-2H3,(H2,16,20).
What are the key properties of 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide?
2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[ethyl(methyl)amino]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 77089173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).