(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol

C7H9ClN4O — CID 87576855

IUPAC(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol
SMILESNc1nc(Cl)c2c(n1)NCC2CO
InChIInChI=1S/C7H9ClN4O/c8-5-4-3(2-13)1-10-6(4)12-7(9)11-5/h3,13H,1-2H2,(H3,9,10,11,12)
InChIKeyAUXXUBFWDQZPBF-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.21
Rot. Bonds1

About (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol

(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol (PubChem CID 87576855) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol
PubChem CID87576855
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol
SMILESNc1nc(Cl)c2c(n1)NCC2CO
InChIInChI=1S/C7H9ClN4O/c8-5-4-3(2-13)1-10-6(4)12-7(9)11-5/h3,13H,1-2H2,(H3,9,10,11,12)
InChIKeyAUXXUBFWDQZPBF-UHFFFAOYSA-N
XLogP0.21
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol?
The IUPAC name of (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol (CID 87576855) is (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol.
What is the SMILES notation for (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol?
The canonical SMILES for (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol is Nc1nc(Cl)c2c(n1)NCC2CO.
What is the InChIKey of (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol?
The InChIKey is AUXXUBFWDQZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c8-5-4-3(2-13)1-10-6(4)12-7(9)11-5/h3,13H,1-2H2,(H3,9,10,11,12).
What are the key properties of (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol?
(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol has a molecular weight of 200.63 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol is sourced from PubChem (CID 87576855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).