7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4 — CID 110875068

IUPAC7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3c2ccn3C)cc1
InChIInChI=1S/C16H18N4/c1-11(2)12-4-6-13(7-5-12)19-15-14-8-9-20(3)16(14)18-10-17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyMBZCXQCBYOYPGQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.84
Rot. Bonds3

About 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875068) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875068
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2ncnc3c2ccn3C)cc1
InChIInChI=1S/C16H18N4/c1-11(2)12-4-6-13(7-5-12)19-15-14-8-9-20(3)16(14)18-10-17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyMBZCXQCBYOYPGQ-UHFFFAOYSA-N
XLogP3.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875068) is 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(Nc2ncnc3c2ccn3C)cc1.
What is the InChIKey of 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MBZCXQCBYOYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11(2)12-4-6-13(7-5-12)19-15-14-8-9-20(3)16(14)18-10-17-15/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).