4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine

C11H14N4O — CID 86706460

IUPAC4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(O[C@H]2CCCNC2)c2cc[nH]c2n1
InChIInChI=1S/C11H14N4O/c1-2-8(6-12-4-1)16-11-9-3-5-13-10(9)14-7-15-11/h3,5,7-8,12H,1-2,4,6H2,(H,13,14,15)/t8-/m0/s1
InChIKeyOJZIDKYICDTGGV-QMMMGPOBSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds2

About 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine

4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 86706460) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID86706460
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(O[C@H]2CCCNC2)c2cc[nH]c2n1
InChIInChI=1S/C11H14N4O/c1-2-8(6-12-4-1)16-11-9-3-5-13-10(9)14-7-15-11/h3,5,7-8,12H,1-2,4,6H2,(H,13,14,15)/t8-/m0/s1
InChIKeyOJZIDKYICDTGGV-QMMMGPOBSA-N
XLogP1.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542165
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
5-piperidin-3-yloxypyrimidin-2-amine
CID 117230818
3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
CID 71637350
6-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 170900649
(5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)azepan-1-yl]methanone
CID 144656855
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 66751905

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine (CID 86706460) is 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine is c1nc(O[C@H]2CCCNC2)c2cc[nH]c2n1.
What is the InChIKey of 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OJZIDKYICDTGGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-8(6-12-4-1)16-11-9-3-5-13-10(9)14-7-15-11/h3,5,7-8,12H,1-2,4,6H2,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine?
4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 86706460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).