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

C12H18ClN3O — CID 55228560

IUPAC3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1c(Cl)ncnc1N1CCCC1CCCO
InChIInChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-2-4-10(16)5-3-7-17/h8,10,17H,2-7H2,1H3
InChIKeyFBNBXCRZKAXDQD-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds4

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

3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 55228560) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID55228560
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1c(Cl)ncnc1N1CCCC1CCCO
InChIInChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-2-4-10(16)5-3-7-17/h8,10,17H,2-7H2,1H3
InChIKeyFBNBXCRZKAXDQD-UHFFFAOYSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
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-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 55228560) is 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is Cc1c(Cl)ncnc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FBNBXCRZKAXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-11(13)14-8-15-12(9)16-6-2-4-10(16)5-3-7-17/h8,10,17H,2-7H2,1H3.
What are the key properties of 3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.18, 4 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-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55228560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).