6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H24N6O — CID 69180851

IUPAC6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3[nH]c(-c4ccc(C(C)(C)N)cc4)cc23)ccn1
InChIInChI=1S/C22H24N6O/c1-22(2,23)16-6-4-15(5-7-16)18-11-17-20(26-13-27-21(17)28-18)25-12-14-8-9-24-19(10-14)29-3/h4-11,13H,12,23H2,1-3H3,(H2,25,26,27,28)
InChIKeyQQBRELJAGNKTTQ-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.83
Rot. Bonds6

About 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69180851) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69180851
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3[nH]c(-c4ccc(C(C)(C)N)cc4)cc23)ccn1
InChIInChI=1S/C22H24N6O/c1-22(2,23)16-6-4-15(5-7-16)18-11-17-20(26-13-27-21(17)28-18)25-12-14-8-9-24-19(10-14)29-3/h4-11,13H,12,23H2,1-3H3,(H2,25,26,27,28)
InChIKeyQQBRELJAGNKTTQ-UHFFFAOYSA-N
XLogP3.83
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69180851) is 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cc(CNc2ncnc3[nH]c(-c4ccc(C(C)(C)N)cc4)cc23)ccn1.
What is the InChIKey of 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QQBRELJAGNKTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-22(2,23)16-6-4-15(5-7-16)18-11-17-20(26-13-27-21(17)28-18)25-12-14-8-9-24-19(10-14)29-3/h4-11,13H,12,23H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 388.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).