4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C13H10N6 — CID 155926548

IUPAC4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1nc(N)c2c(C#N)c(-c3cccnc3)[nH]c2n1
InChIInChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)
InChIKeyAWVFEGNSWDVVKZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.78
Rot. Bonds1

About 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 155926548) has the molecular formula C13H10N6 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID155926548
Molecular FormulaC13H10N6
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1nc(N)c2c(C#N)c(-c3cccnc3)[nH]c2n1
InChIInChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)
InChIKeyAWVFEGNSWDVVKZ-UHFFFAOYSA-N
XLogP1.78
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ruxolitinib
CID 25126798
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
PP121
CID 24905142
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
Rolodine
CID 5359646
Deuruxolitinib
CID 72704611
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
PF-06447475
CID 72706840
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 155926548) is 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cc1nc(N)c2c(C#N)c(-c3cccnc3)[nH]c2n1.
What is the InChIKey of 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is AWVFEGNSWDVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19).
What are the key properties of 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).