7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

C24H24N4O2 — CID 19597382

IUPAC7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Oc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27)
InChIKeyQHGOOYBPYMDOFS-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.60
Rot. Bonds5

About 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 19597382) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID19597382
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Oc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27)
InChIKeyQHGOOYBPYMDOFS-UHFFFAOYSA-N
XLogP5.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 19597382) is 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccccc1Oc1ccc(-c2cn(C3CCCC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QHGOOYBPYMDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-20-8-4-5-9-21(20)30-18-12-10-16(11-13-18)19-14-28(17-6-2-3-7-17)24-22(19)23(25)26-15-27-24/h4-5,8-15,17H,2-3,6-7H2,1H3,(H2,25,26,27).
What are the key properties of 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 400.48 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-[4-(2-methoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19597382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).