5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine

C15H25N3O — CID 125447737

IUPAC5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(C)nc1NCC[C@H]1CCCOC1
InChIInChI=1S/C15H25N3O/c1-4-14-11(2)17-12(3)18-15(14)16-8-7-13-6-5-9-19-10-13/h13H,4-10H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyIISAGMUIAZSHSV-CYBMUJFWSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds5

About 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine

5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 125447737) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine
PubChem CID125447737
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(C)nc1NCC[C@H]1CCCOC1
InChIInChI=1S/C15H25N3O/c1-4-14-11(2)17-12(3)18-15(14)16-8-7-13-6-5-9-19-10-13/h13H,4-10H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyIISAGMUIAZSHSV-CYBMUJFWSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine (CID 125447737) is 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine is CCc1c(C)nc(C)nc1NCC[C@H]1CCCOC1.
What is the InChIKey of 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is IISAGMUIAZSHSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-14-11(2)17-12(3)18-15(14)16-8-7-13-6-5-9-19-10-13/h13H,4-10H2,1-3H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine?
5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,6-dimethyl-N-[2-[(3R)-oxan-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 125447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).