(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

C10H12ClN5 — CID 46837499

IUPAC(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncnc3[nH]cc(Cl)c23)C1
InChIInChI=1S/C10H12ClN5/c11-7-3-13-9-8(7)10(15-5-14-9)16-2-1-6(12)4-16/h3,5-6H,1-2,4,12H2,(H,13,14,15)/t6-/m1/s1
InChIKeyKJNBPCKVXWYSHP-ZCFIWIBFSA-N
MW237.69 g/mol
LogP1.15
Rot. Bonds1

About (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 46837499) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID46837499
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncnc3[nH]cc(Cl)c23)C1
InChIInChI=1S/C10H12ClN5/c11-7-3-13-9-8(7)10(15-5-14-9)16-2-1-6(12)4-16/h3,5-6H,1-2,4,12H2,(H,13,14,15)/t6-/m1/s1
InChIKeyKJNBPCKVXWYSHP-ZCFIWIBFSA-N
XLogP1.15
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 46837499) is (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is N[C@@H]1CCN(c2ncnc3[nH]cc(Cl)c23)C1.
What is the InChIKey of (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is KJNBPCKVXWYSHP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-7-3-13-9-8(7)10(15-5-14-9)16-2-1-6(12)4-16/h3,5-6H,1-2,4,12H2,(H,13,14,15)/t6-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
(3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46837499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).