N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C16H17ClN4O — CID 135334218

IUPACN-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc(Cl)ccc1Nc1ncnc2ccn(C)c12
InChIInChI=1S/C16H17ClN4O/c1-10(2)22-14-8-11(17)4-5-12(14)20-16-15-13(18-9-19-16)6-7-21(15)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyVGCFBSGAYFSXSI-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.15
Rot. Bonds4

About N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 135334218) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID135334218
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC(C)Oc1cc(Cl)ccc1Nc1ncnc2ccn(C)c12
InChIInChI=1S/C16H17ClN4O/c1-10(2)22-14-8-11(17)4-5-12(14)20-16-15-13(18-9-19-16)6-7-21(15)3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyVGCFBSGAYFSXSI-UHFFFAOYSA-N
XLogP4.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-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 N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 135334218) is N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is CC(C)Oc1cc(Cl)ccc1Nc1ncnc2ccn(C)c12.
What is the InChIKey of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is VGCFBSGAYFSXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-10(2)22-14-8-11(17)4-5-12(14)20-16-15-13(18-9-19-16)6-7-21(15)3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 316.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 135334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).