3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C14H22ClN3O — CID 55228559

IUPAC3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCCc1c(Cl)ncnc1N1CCCC1CCCO
InChIInChI=1S/C14H22ClN3O/c1-2-5-12-13(15)16-10-17-14(12)18-8-3-6-11(18)7-4-9-19/h10-11,19H,2-9H2,1H3
InChIKeyMXRBPRUCXHCHBH-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.82
Rot. Bonds6

About 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 55228559) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID55228559
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCCc1c(Cl)ncnc1N1CCCC1CCCO
InChIInChI=1S/C14H22ClN3O/c1-2-5-12-13(15)16-10-17-14(12)18-8-3-6-11(18)7-4-9-19/h10-11,19H,2-9H2,1H3
InChIKeyMXRBPRUCXHCHBH-UHFFFAOYSA-N
XLogP2.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 55228559) is 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is CCCc1c(Cl)ncnc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is MXRBPRUCXHCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-5-12-13(15)16-10-17-14(12)18-8-3-6-11(18)7-4-9-19/h10-11,19H,2-9H2,1H3.
What are the key properties of 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55228559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).