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

C14H22ClN3O — CID 80951421

IUPAC3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)c1nc(Cl)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)14-16-12(15)9-13(17-14)18-7-3-5-11(18)6-4-8-19/h9-11,19H,3-8H2,1-2H3
InChIKeyRHQXMRJZWXEWCQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds5

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

3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80951421) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80951421
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)c1nc(Cl)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)14-16-12(15)9-13(17-14)18-7-3-5-11(18)6-4-8-19/h9-11,19H,3-8H2,1-2H3
InChIKeyRHQXMRJZWXEWCQ-UHFFFAOYSA-N
XLogP2.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
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-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 80951421) is 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is CC(C)c1nc(Cl)cc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RHQXMRJZWXEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)14-16-12(15)9-13(17-14)18-7-3-5-11(18)6-4-8-19/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80951421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).