6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine

C16H21N3O2 — CID 103491721

IUPAC6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyAKXFFMXVVNWWCX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds7

About 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine

6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 103491721) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID103491721
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyAKXFFMXVVNWWCX-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
6-butan-2-yloxy-2-phenylpyrimidin-4-amine
CID 112559900
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915445
4-N-(2-ethoxyethyl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915730
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine (CID 103491721) is 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine is CCOCC(C)Oc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is AKXFFMXVVNWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-20-11-12(2)21-15-10-14(17-3)18-16(19-15)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine?
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 103491721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).