N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine

C11H19N3O — CID 61242089

IUPACN-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOCC(C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-8(2)10-5-11(13-7-12-10)14-9(3)6-15-4/h5,7-9H,6H2,1-4H3,(H,12,13,14)
InChIKeyZTEBPMYNCVHPIV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine

N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61242089) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID61242089
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOCC(C)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-8(2)10-5-11(13-7-12-10)14-9(3)6-15-4/h5,7-9H,6H2,1-4H3,(H,12,13,14)
InChIKeyZTEBPMYNCVHPIV-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 61242089) is N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine is COCC(C)Nc1cc(C(C)C)ncn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZTEBPMYNCVHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10-5-11(13-7-12-10)14-9(3)6-15-4/h5,7-9H,6H2,1-4H3,(H,12,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine?
N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61242089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).