2-(2-methylpropoxy)pyrimidin-5-amine

C8H13N3O — CID 61146937

IUPAC2-(2-methylpropoxy)pyrimidin-5-amine
SMILESCC(C)COc1ncc(N)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3
InChIKeyJWMQJLFETRCSMI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.09
Rot. Bonds3

About 2-(2-methylpropoxy)pyrimidin-5-amine

2-(2-methylpropoxy)pyrimidin-5-amine (PubChem CID 61146937) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2-methylpropoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)pyrimidin-5-amine
PubChem CID61146937
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2-methylpropoxy)pyrimidin-5-amine
SMILESCC(C)COc1ncc(N)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3
InChIKeyJWMQJLFETRCSMI-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)pyrimidin-5-amine?
The IUPAC name of 2-(2-methylpropoxy)pyrimidin-5-amine (CID 61146937) is 2-(2-methylpropoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-methylpropoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(2-methylpropoxy)pyrimidin-5-amine is CC(C)COc1ncc(N)cn1.
What is the InChIKey of 2-(2-methylpropoxy)pyrimidin-5-amine?
The InChIKey is JWMQJLFETRCSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)pyrimidin-5-amine?
2-(2-methylpropoxy)pyrimidin-5-amine has a molecular weight of 167.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)pyrimidin-5-amine is sourced from PubChem (CID 61146937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).