N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine

C14H25N3O — CID 103269974

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(Nc1cc(C(C)C)ncn1)C(C)C
InChIInChI=1S/C14H25N3O/c1-6-18-8-13(11(4)5)17-14-7-12(10(2)3)15-9-16-14/h7,9-11,13H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyBRWIQXJAZWIBTN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.07
Rot. Bonds7

About N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine

N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103269974) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID103269974
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(Nc1cc(C(C)C)ncn1)C(C)C
InChIInChI=1S/C14H25N3O/c1-6-18-8-13(11(4)5)17-14-7-12(10(2)3)15-9-16-14/h7,9-11,13H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyBRWIQXJAZWIBTN-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 103269974) is N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine is CCOCC(Nc1cc(C(C)C)ncn1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BRWIQXJAZWIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-18-8-13(11(4)5)17-14-7-12(10(2)3)15-9-16-14/h7,9-11,13H,6,8H2,1-5H3,(H,15,16,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103269974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).