N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H12N4 — CID 110875032

IUPACN-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H12N4/c1-17(10-5-3-2-4-6-10)13-11-7-8-14-12(11)15-9-16-13/h2-9H,1H3,(H,14,15,16)
InChIKeyMEPRMLZZUPMVBN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875032) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875032
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H12N4/c1-17(10-5-3-2-4-6-10)13-11-7-8-14-12(11)15-9-16-13/h2-9H,1H3,(H,14,15,16)
InChIKeyMEPRMLZZUPMVBN-UHFFFAOYSA-N
XLogP2.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589
(E)-2-cyano-N,N-dimethyl-3-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 71014460
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-[4-[(benzylsulfonimidoyl)methyl]cyclohexyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155042210
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
N,7-dimethyl-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875033
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158999305
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78038889

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875032) is N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ccccc1)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MEPRMLZZUPMVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-17(10-5-3-2-4-6-10)13-11-7-8-14-12(11)15-9-16-13/h2-9H,1H3,(H,14,15,16).
What are the key properties of N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).