7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

C13H19N5 — CID 123569823

IUPAC7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCC1CCC(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C13H19N5/c1-15-7-9-2-3-10(6-9)18-5-4-11-12(14)16-8-17-13(11)18/h4-5,8-10,15H,2-3,6-7H2,1H3,(H2,14,16,17)
InChIKeyBNYBRSADMMMQIT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.57
Rot. Bonds3

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

7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 123569823) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID123569823
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCC1CCC(n2ccc3c(N)ncnc32)C1
InChIInChI=1S/C13H19N5/c1-15-7-9-2-3-10(6-9)18-5-4-11-12(14)16-8-17-13(11)18/h4-5,8-10,15H,2-3,6-7H2,1H3,(H2,14,16,17)
InChIKeyBNYBRSADMMMQIT-UHFFFAOYSA-N
XLogP1.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-(methylaminomethyl)cyclopentan-1-ol
CID 123577457
7-[3-[(4-chlorophenyl)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142419646
7-(3-but-3-enylcyclopentyl)pyrrolo[2,3-d]pyrimidin-4-amine;propane-2,2-diol
CID 142318317
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134417070
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167461204
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
tert-butyl N-[2-[(2S)-1-[[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]pyrrolidin-2-yl]ethyl]carbamate
CID 156542902
acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
CID 155706333
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol
CID 142318310

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 123569823) is 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is CNCC1CCC(n2ccc3c(N)ncnc32)C1.
What is the InChIKey of 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BNYBRSADMMMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-15-7-9-2-3-10(6-9)18-5-4-11-12(14)16-8-17-13(11)18/h4-5,8-10,15H,2-3,6-7H2,1H3,(H2,14,16,17).
What are the key properties of 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 123569823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).