[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid

C13H15ClN4O3 — CID 87561204

IUPAC[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C13H15ClN4O3/c1-17(13(19)20)8-2-5-18(6-3-8)11-10-9(4-7-21-10)15-12(14)16-11/h4,7-8H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyBAZQEYSRLBNORX-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.45
Rot. Bonds2

About [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid

[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid (PubChem CID 87561204) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid
PubChem CID87561204
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C13H15ClN4O3/c1-17(13(19)20)8-2-5-18(6-3-8)11-10-9(4-7-21-10)15-12(14)16-11/h4,7-8H,2-3,5-6H2,1H3,(H,19,20)
InChIKeyBAZQEYSRLBNORX-UHFFFAOYSA-N
XLogP2.45
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid (CID 87561204) is [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(c2nc(Cl)nc3ccoc23)CC1.
What is the InChIKey of [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid?
The InChIKey is BAZQEYSRLBNORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c1-17(13(19)20)8-2-5-18(6-3-8)11-10-9(4-7-21-10)15-12(14)16-11/h4,7-8H,2-3,5-6H2,1H3,(H,19,20).
What are the key properties of [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid?
[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid has a molecular weight of 310.74 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 87561204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).