2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one

C10H13N5O2 — CID 136993657

IUPAC2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1noc(CCNc2cc(=O)[nH]c(C)n2)n1
InChIInChI=1S/C10H13N5O2/c1-6-12-8(5-9(16)13-6)11-4-3-10-14-7(2)15-17-10/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyQHAVHJGKNBWHET-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.42
Rot. Bonds4

About 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one

2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136993657) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136993657
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1noc(CCNc2cc(=O)[nH]c(C)n2)n1
InChIInChI=1S/C10H13N5O2/c1-6-12-8(5-9(16)13-6)11-4-3-10-14-7(2)15-17-10/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyQHAVHJGKNBWHET-UHFFFAOYSA-N
XLogP0.42
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424455
2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756594
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one (CID 136993657) is 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one is Cc1noc(CCNc2cc(=O)[nH]c(C)n2)n1.
What is the InChIKey of 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is QHAVHJGKNBWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-12-8(5-9(16)13-6)11-4-3-10-14-7(2)15-17-10/h5H,3-4H2,1-2H3,(H2,11,12,13,16).
What are the key properties of 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one?
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 235.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136993657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).