1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile

C14H15ClN4O2 — CID 87574014

IUPAC1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile
SMILESN#CC1(CCO)CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C14H15ClN4O2/c15-13-17-10-1-8-21-11(10)12(18-13)19-5-2-14(9-16,3-6-19)4-7-20/h1,8,20H,2-7H2
InChIKeySZTDEFGTPQSJLP-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.37
Rot. Bonds3

About 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile (PubChem CID 87574014) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile
PubChem CID87574014
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile
SMILESN#CC1(CCO)CCN(c2nc(Cl)nc3ccoc23)CC1
InChIInChI=1S/C14H15ClN4O2/c15-13-17-10-1-8-21-11(10)12(18-13)19-5-2-14(9-16,3-6-19)4-7-20/h1,8,20H,2-7H2
InChIKeySZTDEFGTPQSJLP-UHFFFAOYSA-N
XLogP2.37
TPSA86.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile (CID 87574014) is 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile is N#CC1(CCO)CCN(c2nc(Cl)nc3ccoc23)CC1.
What is the InChIKey of 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile?
The InChIKey is SZTDEFGTPQSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-13-17-10-1-8-21-11(10)12(18-13)19-5-2-14(9-16,3-6-19)4-7-20/h1,8,20H,2-7H2.
What are the key properties of 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile?
1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile has a molecular weight of 306.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-4-(2-hydroxyethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 87574014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).