N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide

C17H21N5O2 — CID 72718178

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N5O2/c1-12-9-15(22(2)3)21-14(20-12)10-18-16(23)11-19-17(24)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyHCYPNNYKMZFOOT-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.90
Rot. Bonds6

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 72718178) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide
PubChem CID72718178
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CNC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N5O2/c1-12-9-15(22(2)3)21-14(20-12)10-18-16(23)11-19-17(24)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyHCYPNNYKMZFOOT-UHFFFAOYSA-N
XLogP0.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide (CID 72718178) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide is Cc1cc(N(C)C)nc(CNC(=O)CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is HCYPNNYKMZFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-9-15(22(2)3)21-14(20-12)10-18-16(23)11-19-17(24)13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 72718178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).