4-methyl-6-propan-2-yloxypyrimidin-2-amine

C8H13N3O — CID 580558

IUPAC4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11)
InChIKeySGSMTBSMVGCSHB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.15
Rot. Bonds2

About 4-methyl-6-propan-2-yloxypyrimidin-2-amine

4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 580558) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID580558
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11)
InChIKeySGSMTBSMVGCSHB-UHFFFAOYSA-N
XLogP1.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 580558) is 4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(N)n1.
What is the InChIKey of 4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is SGSMTBSMVGCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11).
What are the key properties of 4-methyl-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 580558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).