4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine

C13H21N3O2 — CID 80872217

IUPAC4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-5-14-13-15-10(2)7-12(16-13)18-9-11-4-6-17-8-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyYIFAXFQPVGNIMH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.02
Rot. Bonds6

About 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine

4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine (PubChem CID 80872217) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
PubChem CID80872217
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-5-14-13-15-10(2)7-12(16-13)18-9-11-4-6-17-8-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyYIFAXFQPVGNIMH-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
CID 102608825
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
6-methyl-2-(oxolan-3-ylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80653914
N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62322089
N-ethyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950581
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine (CID 80872217) is 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(OCC2CCOC2)n1.
What is the InChIKey of 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine?
The InChIKey is YIFAXFQPVGNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-14-13-15-10(2)7-12(16-13)18-9-11-4-6-17-8-11/h7,11H,3-6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine?
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80872217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).