4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol

C18H20N4O — CID 167462105

IUPAC4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
SMILESCNc1ncnc2c1ccn2C1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C18H20N4O/c1-19-17-16-8-9-22(18(16)21-11-20-17)14-5-2-13(10-14)12-3-6-15(23)7-4-12/h3-4,6-9,11,13-14,23H,2,5,10H2,1H3,(H,19,20,21)
InChIKeyCAOMBYJICXSXLO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.69
Rot. Bonds3

About 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol

4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol (PubChem CID 167462105) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol.

Molecular Properties

Compound Name4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
PubChem CID167462105
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
SMILESCNc1ncnc2c1ccn2C1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C18H20N4O/c1-19-17-16-8-9-22(18(16)21-11-20-17)14-5-2-13(10-14)12-3-6-15(23)7-4-12/h3-4,6-9,11,13-14,23H,2,5,10H2,1H3,(H,19,20,21)
InChIKeyCAOMBYJICXSXLO-UHFFFAOYSA-N
XLogP3.69
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167460913
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167461204
N-methyl-7-[3-[2-(2-phenylethylamino)ethylsulfinylmethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462051
N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 166776430
methyl 3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1-carboxylate
CID 167461313
N'-[[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl]-N-[2-(3-phenylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 167460586
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
[(1S,3R)-3-(4-acetamidopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl sulfamate
CID 123981796
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167928357
7-(3-ethenylcyclopentyl)-4-methylpyrrolo[2,3-d]pyrimidine
CID 138748394
[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 176778134

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol?
The IUPAC name of 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol (CID 167462105) is 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol.
What is the SMILES notation for 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol?
The canonical SMILES for 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol is CNc1ncnc2c1ccn2C1CCC(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol?
The InChIKey is CAOMBYJICXSXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-19-17-16-8-9-22(18(16)21-11-20-17)14-5-2-13(10-14)12-3-6-15(23)7-4-12/h3-4,6-9,11,13-14,23H,2,5,10H2,1H3,(H,19,20,21).
What are the key properties of 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol?
4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol is sourced from PubChem (CID 167462105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).