N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C14H14N4 — CID 175930259

IUPACN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccn(-c3ccccc3C)c2n1
InChIInChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17)
InChIKeyVQRSRKHLJRVGBR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175930259) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175930259
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccn(-c3ccccc3C)c2n1
InChIInChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17)
InChIKeyVQRSRKHLJRVGBR-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
1H-Pyrrolo(2,3-b)pyridine
CID 9222
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Rolodine
CID 5359646
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
7-(1-Ethyl-propyl)-7H-pyrrolo-[3,2-F]quinazoline-1,3-diamine
CID 1881
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
CP-154526
CID 5311055

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 175930259) is N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CNc1ncc2ccn(-c3ccccc3C)c2n1.
What is the InChIKey of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VQRSRKHLJRVGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-5-3-4-6-12(10)18-8-7-11-9-16-14(15-2)17-13(11)18/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175930259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).