1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one

C14H18N4O — CID 79250857

IUPAC1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCCNc1ccnc(Cn2c(C)cc(C)nc2=O)c1
InChIInChI=1S/C14H18N4O/c1-4-15-12-5-6-16-13(8-12)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyVOUSHWOVSPELKT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds4

About 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one

1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 79250857) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID79250857
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCCNc1ccnc(Cn2c(C)cc(C)nc2=O)c1
InChIInChI=1S/C14H18N4O/c1-4-15-12-5-6-16-13(8-12)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyVOUSHWOVSPELKT-UHFFFAOYSA-N
XLogP1.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one (CID 79250857) is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one is CCNc1ccnc(Cn2c(C)cc(C)nc2=O)c1.
What is the InChIKey of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is VOUSHWOVSPELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-15-12-5-6-16-13(8-12)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 79250857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).