3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide

C16H18ClN5O2 — CID 131908460

IUPAC3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
SMILESCc1nc(N)nc(-c2cccc(C(=O)NCC(=O)N(C)C)c2)c1Cl
InChIInChI=1S/C16H18ClN5O2/c1-9-13(17)14(21-16(18)20-9)10-5-4-6-11(7-10)15(24)19-8-12(23)22(2)3/h4-7H,8H2,1-3H3,(H,19,24)(H2,18,20,21)
InChIKeyNKSLOWNPPLHIPH-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.51
Rot. Bonds4

About 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide

3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide (PubChem CID 131908460) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
PubChem CID131908460
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
SMILESCc1nc(N)nc(-c2cccc(C(=O)NCC(=O)N(C)C)c2)c1Cl
InChIInChI=1S/C16H18ClN5O2/c1-9-13(17)14(21-16(18)20-9)10-5-4-6-11(7-10)15(24)19-8-12(23)22(2)3/h4-7H,8H2,1-3H3,(H,19,24)(H2,18,20,21)
InChIKeyNKSLOWNPPLHIPH-UHFFFAOYSA-N
XLogP1.51
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide (CID 131908460) is 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide is Cc1nc(N)nc(-c2cccc(C(=O)NCC(=O)N(C)C)c2)c1Cl.
What is the InChIKey of 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide?
The InChIKey is NKSLOWNPPLHIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-9-13(17)14(21-16(18)20-9)10-5-4-6-11(7-10)15(24)19-8-12(23)22(2)3/h4-7H,8H2,1-3H3,(H,19,24)(H2,18,20,21).
What are the key properties of 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide?
3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide has a molecular weight of 347.81 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 131908460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).