(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

C16H23N5 — CID 56849372

IUPAC(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCN(C1CCCC1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H23N5/c1-20(12-4-2-3-5-12)13-7-9-21(10-13)16-14-6-8-17-15(14)18-11-19-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyPURSWMXFVOGPMP-CYBMUJFWSA-N
MW285.39 g/mol
LogP2.41
Rot. Bonds3

About (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 56849372) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID56849372
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCN(C1CCCC1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C16H23N5/c1-20(12-4-2-3-5-12)13-7-9-21(10-13)16-14-6-8-17-15(14)18-11-19-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyPURSWMXFVOGPMP-CYBMUJFWSA-N
XLogP2.41
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine with MolForge

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Related Compounds

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2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
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racemic-Tasocitinib
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rac-1-((3aR,7aR)-1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)hexahydro-1H-pyrrolo[2,3-c]pyridin-6(2H)-yl)prop-2-en-1-one
CID 118115537

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 56849372) is (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is CN(C1CCCC1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is PURSWMXFVOGPMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5/c1-20(12-4-2-3-5-12)13-7-9-21(10-13)16-14-6-8-17-15(14)18-11-19-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 56849372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).