4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine

C11H17N3O2 — CID 102608825

IUPAC4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OC2COC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-4-12-11-13-8(2)5-10(14-11)16-9-6-15-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,12,13,14)
InChIKeyBREYUACQPVNXGT-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.38
Rot. Bonds5

About 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine

4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine (PubChem CID 102608825) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
PubChem CID102608825
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OC2COC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-4-12-11-13-8(2)5-10(14-11)16-9-6-15-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,12,13,14)
InChIKeyBREYUACQPVNXGT-UHFFFAOYSA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
4-cyclobutyloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80873770
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
6-(oxetan-3-yloxy)-N-propylpyrazin-2-amine
CID 102608854
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
CID 80882608
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine (CID 102608825) is 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(OC2COC2)n1.
What is the InChIKey of 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine?
The InChIKey is BREYUACQPVNXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-12-11-13-8(2)5-10(14-11)16-9-6-15-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine?
4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).