7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H21N5O — CID 177381370

IUPAC7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc3ccccc3o1)cn2C1CCC(N)CC1
InChIInChI=1S/C20H21N5O/c21-13-5-7-14(8-6-13)25-10-15(18-19(22)23-11-24-20(18)25)17-9-12-3-1-2-4-16(12)26-17/h1-4,9-11,13-14H,5-8,21H2,(H2,22,23,24)
InChIKeyVWBFDRIULHQKMP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.87
Rot. Bonds2

About 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 177381370) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID177381370
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc3ccccc3o1)cn2C1CCC(N)CC1
InChIInChI=1S/C20H21N5O/c21-13-5-7-14(8-6-13)25-10-15(18-19(22)23-11-24-20(18)25)17-9-12-3-1-2-4-16(12)26-17/h1-4,9-11,13-14H,5-8,21H2,(H2,22,23,24)
InChIKeyVWBFDRIULHQKMP-UHFFFAOYSA-N
XLogP3.87
TPSA95.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 17756743
5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433
N-benzyl-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 1596636
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-amine
CID 11163942
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrimidin-2-yl-amine
CID 11544316
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
5-(4-Phenoxy-phenyl)-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10138376
2-(5-Furan-2-yl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyl-tetrahydro-furan-3,4-diol
CID 10620521
N-isopropyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amine
CID 11626406

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 177381370) is 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2C1CCC(N)CC1.
What is the InChIKey of 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VWBFDRIULHQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-13-5-7-14(8-6-13)25-10-15(18-19(22)23-11-24-20(18)25)17-9-12-3-1-2-4-16(12)26-17/h1-4,9-11,13-14H,5-8,21H2,(H2,22,23,24).
What are the key properties of 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 347.42 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177381370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).