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

C11H12N4 — CID 82397488

IUPAC2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1ncc2[nH]c(C(C)C)c(C#N)c2n1
InChIInChI=1S/C11H12N4/c1-6(2)10-8(4-12)11-9(15-10)5-13-7(3)14-11/h5-6,15H,1-3H3
InChIKeyNCFACZWFGDPAGF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.26
Rot. Bonds1

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

2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 82397488) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID82397488
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1ncc2[nH]c(C(C)C)c(C#N)c2n1
InChIInChI=1S/C11H12N4/c1-6(2)10-8(4-12)11-9(15-10)5-13-7(3)14-11/h5-6,15H,1-3H3
InChIKeyNCFACZWFGDPAGF-UHFFFAOYSA-N
XLogP2.26
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
CID 82411697
4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 162388570
2-(2-methyl-4-propan-2-ylpyrimidin-5-yl)acetonitrile
CID 84766967
5-chloro-2-methyl-4-propan-2-ylpyrimidine
CID 147054546
2-methyl-4,8-di(propan-2-yl)pyrido[2,3-d]pyridazine-3-carbonitrile
CID 164954431
4-(1-hydroxypropan-2-ylamino)-2-methylpyrimidine-5-carbonitrile
CID 130541073
8-chloro-2-methylsulfanyl-6-oxo-5H-pyrido[3,2-d]pyrimidine-7-carbonitrile
CID 138518561
2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
2-methyl-4,5-di(propan-2-yl)pyrimidine
CID 59058770
2,8-dimethyl-7H-purine;propane
CID 143020350
2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 82652088
2-methyl-4-propan-2-ylpyridine-3-carbonitrile
CID 4210277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 82397488) is 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile is Cc1ncc2[nH]c(C(C)C)c(C#N)c2n1.
What is the InChIKey of 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is NCFACZWFGDPAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-6(2)10-8(4-12)11-9(15-10)5-13-7(3)14-11/h5-6,15H,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 82397488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).