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

C15H25N3O — CID 65328505

IUPAC3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(C2CCCO2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-16-9-5-7-13-11(2)17-15(18-12(13)3)14-8-6-10-19-14/h14,16H,4-10H2,1-3H3
InChIKeyKEWVQPWBLMLYPN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds6

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

3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine (PubChem CID 65328505) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine
PubChem CID65328505
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(C2CCCO2)nc1C
InChIInChI=1S/C15H25N3O/c1-4-16-9-5-7-13-11(2)17-15(18-12(13)3)14-8-6-10-19-14/h14,16H,4-10H2,1-3H3
InChIKeyKEWVQPWBLMLYPN-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine (CID 65328505) is 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine is CCNCCCc1c(C)nc(C2CCCO2)nc1C.
What is the InChIKey of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
The InChIKey is KEWVQPWBLMLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-9-5-7-13-11(2)17-15(18-12(13)3)14-8-6-10-19-14/h14,16H,4-10H2,1-3H3.
What are the key properties of 3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine?
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.49, 6 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-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 65328505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).