2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H16ClN5 — CID 142755077

IUPAC2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H]1CC[C@@H](Nc2nc(Cl)nc3[nH]ccc23)CN1
InChIInChI=1S/C12H16ClN5/c1-7-2-3-8(6-15-7)16-11-9-4-5-14-10(9)17-12(13)18-11/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,16,17,18)/t7-,8+/m0/s1
InChIKeyWWUQAWNQGOSXPT-JGVFFNPUSA-N
MW265.75 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 142755077) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID142755077
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@H]1CC[C@@H](Nc2nc(Cl)nc3[nH]ccc23)CN1
InChIInChI=1S/C12H16ClN5/c1-7-2-3-8(6-15-7)16-11-9-4-5-14-10(9)17-12(13)18-11/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,16,17,18)/t7-,8+/m0/s1
InChIKeyWWUQAWNQGOSXPT-JGVFFNPUSA-N
XLogP2.16
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 142755077) is 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C[C@H]1CC[C@@H](Nc2nc(Cl)nc3[nH]ccc23)CN1.
What is the InChIKey of 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WWUQAWNQGOSXPT-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-7-2-3-8(6-15-7)16-11-9-4-5-14-10(9)17-12(13)18-11/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,16,17,18)/t7-,8+/m0/s1.
What are the key properties of 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142755077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).