3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine

C14H23N3O — CID 55113677

IUPAC3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CC2CCCO2)nc(C)c1CCCN
InChIInChI=1S/C14H23N3O/c1-10-13(6-3-7-15)11(2)17-14(16-10)9-12-5-4-8-18-12/h12H,3-9,15H2,1-2H3
InChIKeyXEJDZLIXOMWTMC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds5

About 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine

3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine (PubChem CID 55113677) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
PubChem CID55113677
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CC2CCCO2)nc(C)c1CCCN
InChIInChI=1S/C14H23N3O/c1-10-13(6-3-7-15)11(2)17-14(16-10)9-12-5-4-8-18-12/h12H,3-9,15H2,1-2H3
InChIKeyXEJDZLIXOMWTMC-UHFFFAOYSA-N
XLogP1.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 61269964
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746529
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 62756381
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
3-[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]propan-1-amine
CID 79970403

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine (CID 55113677) is 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine is Cc1nc(CC2CCCO2)nc(C)c1CCCN.
What is the InChIKey of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is XEJDZLIXOMWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-13(6-3-7-15)11(2)17-14(16-10)9-12-5-4-8-18-12/h12H,3-9,15H2,1-2H3.
What are the key properties of 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine?
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 55113677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).