5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine

C14H18N4O2 — CID 70914816

IUPAC5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O2/c1-10(9-19-2)17-14-12(20-3)8-16-13(18-14)11-6-4-5-7-15-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyGXBJZPFUEJQELY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.99
Rot. Bonds6

About 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine

5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70914816) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70914816
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOCC(C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O2/c1-10(9-19-2)17-14-12(20-3)8-16-13(18-14)11-6-4-5-7-15-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyGXBJZPFUEJQELY-UHFFFAOYSA-N
XLogP1.99
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine (CID 70914816) is 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine is COCC(C)Nc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is GXBJZPFUEJQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(9-19-2)17-14-12(20-3)8-16-13(18-14)11-6-4-5-7-15-11/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine?
5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-methoxypropan-2-yl)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70914816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).