[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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Related Compounds

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonitrile;2,4-dichlorofuro[3,2-d]pyrimidine;piperidine-4-carbonitrile
CID 161251740
1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile
CID 87574014
[1-[2-[4-[acetyl(methyl)amino]anilino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68753385
methyl-[[1-[2-[(1-methylindazol-5-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamic acid
CID 68752411
[1-(6-formylquinolin-2-yl)piperidin-4-yl]-methylcarbamic acid
CID 174209271
[(4S)-1-(6-chloropyrido[2,3-b]pyrazin-2-yl)azepan-4-yl]-methylcarbamic acid
CID 146485662
1-[4-[4-[[4-[4-[(dimethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 56959209
1-(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)-1,3,3-trimethylurea
CID 166603589
oxetan-3-yl N-methyl-N-(1-quinazolin-4-ylpiperidin-4-yl)carbamate
CID 167984115
tert-butyl N-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 123842349
[1-[2-[(2-oxo-1H-quinolin-7-yl)amino]furo[3,2-d]pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 68753237
methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
CID 66798756

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).