4-butyl-N-(oxan-3-yl)pyrimidin-2-amine

C13H21N3O — CID 146325895

IUPAC4-butyl-N-(oxan-3-yl)pyrimidin-2-amine
SMILESCCCCc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-2-3-5-11-7-8-14-13(15-11)16-12-6-4-9-17-10-12/h7-8,12H,2-6,9-10H2,1H3,(H,14,15,16)
InChIKeyAQGAQOLUOUHYIS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds5

About 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine

4-butyl-N-(oxan-3-yl)pyrimidin-2-amine (PubChem CID 146325895) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-N-(oxan-3-yl)pyrimidin-2-amine
PubChem CID146325895
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-butyl-N-(oxan-3-yl)pyrimidin-2-amine
SMILESCCCCc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C13H21N3O/c1-2-3-5-11-7-8-14-13(15-11)16-12-6-4-9-17-10-12/h7-8,12H,2-6,9-10H2,1H3,(H,14,15,16)
InChIKeyAQGAQOLUOUHYIS-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine (CID 146325895) is 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine is CCCCc1ccnc(NC2CCCOC2)n1.
What is the InChIKey of 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine?
The InChIKey is AQGAQOLUOUHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-5-11-7-8-14-13(15-11)16-12-6-4-9-17-10-12/h7-8,12H,2-6,9-10H2,1H3,(H,14,15,16).
What are the key properties of 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine?
4-butyl-N-(oxan-3-yl)pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(oxan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 146325895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).