6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine

C12H18ClN3O — CID 55230282

IUPAC6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC1CCCOC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)10-11(13)14-7-15-12(10)16-9-4-3-5-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKIZMQDDGOQDJHP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.84
Rot. Bonds3

About 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 55230282) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID55230282
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC1CCCOC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)10-11(13)14-7-15-12(10)16-9-4-3-5-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKIZMQDDGOQDJHP-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine (CID 55230282) is 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NC1CCCOC1.
What is the InChIKey of 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KIZMQDDGOQDJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)10-11(13)14-7-15-12(10)16-9-4-3-5-17-6-9/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-3-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 55230282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).