5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine

C14H17ClN4O2 — CID 157142917

IUPAC5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16/h5-7H,1-4H3,(H2,16,17,18)
InChIKeyGRBRYIPOQYFQAA-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.34
Rot. Bonds4

About 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine

5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine (PubChem CID 157142917) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
PubChem CID157142917
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
SMILESCOc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16/h5-7H,1-4H3,(H2,16,17,18)
InChIKeyGRBRYIPOQYFQAA-UHFFFAOYSA-N
XLogP3.34
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine (CID 157142917) is 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine is COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1Cl.
What is the InChIKey of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The InChIKey is GRBRYIPOQYFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7(2)12-10(5-9(15)14(19-12)20-4)21-11-6-17-8(3)18-13(11)16/h5-7H,1-4H3,(H2,16,17,18).
What are the key properties of 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine has a molecular weight of 308.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 157142917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).