N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide

C15H15N5O — CID 11380496

IUPACN-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc3c(NC)ncnc3[nH]2)cc1
InChIInChI=1S/C15H15N5O/c1-16-13-11-7-12(20-14(11)19-8-18-13)9-3-5-10(6-4-9)15(21)17-2/h3-8H,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyGHGVHZTWEMYVFC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide

N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide (PubChem CID 11380496) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
PubChem CID11380496
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc3c(NC)ncnc3[nH]2)cc1
InChIInChI=1S/C15H15N5O/c1-16-13-11-7-12(20-14(11)19-8-18-13)9-3-5-10(6-4-9)15(21)17-2/h3-8H,1-2H3,(H,17,21)(H2,16,18,19,20)
InChIKeyGHGVHZTWEMYVFC-UHFFFAOYSA-N
XLogP2.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide?
The IUPAC name of N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide (CID 11380496) is N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide is CNC(=O)c1ccc(-c2cc3c(NC)ncnc3[nH]2)cc1.
What is the InChIKey of N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide?
The InChIKey is GHGVHZTWEMYVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-16-13-11-7-12(20-14(11)19-8-18-13)9-3-5-10(6-4-9)15(21)17-2/h3-8H,1-2H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide?
N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 11380496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).