5-methyl-4-propoxypyrimidin-2-amine

C8H13N3O — CID 80864998

IUPAC5-methyl-4-propoxypyrimidin-2-amine
SMILESCCCOc1nc(N)ncc1C
InChIInChI=1S/C8H13N3O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyATWHJIIUXJUEGC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.16
Rot. Bonds3

About 5-methyl-4-propoxypyrimidin-2-amine

5-methyl-4-propoxypyrimidin-2-amine (PubChem CID 80864998) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-propoxypyrimidin-2-amine
PubChem CID80864998
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-4-propoxypyrimidin-2-amine
SMILESCCCOc1nc(N)ncc1C
InChIInChI=1S/C8H13N3O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyATWHJIIUXJUEGC-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(4,4,4-trifluorobutoxy)pyrimidin-2-amine
CID 82793719
2-chloro-5-methyl-4-propoxypyrimidine
CID 79076637
4-(2-cyclobutylethoxy)-5-methylpyrimidin-2-amine
CID 106207711
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methylpyrimidin-2-amine
CID 102741286
5-methyl-4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80865287
4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
CID 80875950
[5-methyl-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80925219
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
CID 82825383
5-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
CID 80858351
4-cyclobutyloxy-5-methylpyrimidin-2-amine
CID 80873387
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
4-ethoxypyrimidine-2,5-diamine
CID 119098064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propoxypyrimidin-2-amine?
The IUPAC name of 5-methyl-4-propoxypyrimidin-2-amine (CID 80864998) is 5-methyl-4-propoxypyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-propoxypyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-propoxypyrimidin-2-amine is CCCOc1nc(N)ncc1C.
What is the InChIKey of 5-methyl-4-propoxypyrimidin-2-amine?
The InChIKey is ATWHJIIUXJUEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 5-methyl-4-propoxypyrimidin-2-amine?
5-methyl-4-propoxypyrimidin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 80864998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).